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Diazepanes
Description:
Compounds containing a diazepane rings, which is a saturated seven-membered ring with 2 nitrogen atoms and five carbon atoms.
Ancestors:
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6-boc-2,6-diazabicyclo[3.2.0]heptaneCas Number: 1408075-03-5Formula: C10H18N2O2 Molecular Weight: 198.266IUPAC Name: tert-butyl 2,6-diazabicyclo[3.2.0]heptane-6-carboxylateSMILES: CC(C)(C)OC(=O)N1CC2C1CCN2InChIKey: BDVMAANWMDTLFP-UHFFFAOYSA-NInChI: InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-8(12)4-5-11-7/h7-8,11H,4-6H2,1-3H3 -
1-MethylhomopiperazineCas Number: 4318-37-0Formula: C6H14N2 Molecular Weight: 114.19IUPAC Name: 1-methyl-1,4-diazepaneSMILES: CN1CCCNCC1InChIKey: FXHRAKUEZPSMLJ-UHFFFAOYSA-NInChI: InChI=1S/C6H14N2/c1-8-5-2-3-7-4-6-8/h7H,2-6H2,1H3Synonyms: 1-methylperhydro-1,4-diazepine | F0001-1191 | N-methyl-1,4-diazacycloheptane | N-methylhomopiperizine | Z104479254 | ... -
1-Methyl-1,4-diazepan-5-oneCas Number: 5441-40-7Formula: C6H12N2O Molecular Weight: 128.17IUPAC Name: 1-methyl-1,4-diazepan-5-oneSMILES: CN1CCC(=O)NCC1InChIKey: FZYSZYWKHFCLSF-UHFFFAOYSA-NInChI: InChI=1S/C6H12N2O/c1-8-4-2-6(9)7-3-5-8/h2-5H2,1H3,(H,7,9)Synonyms: 1-methyl-1,4-diazepan-5-one|5441-40-7|N-Methyl-5-homopiperazinone|1-Methyl-5-homopiperazinone|1-Methyl-[1,4]diazepan-... -
1-Boc-hexahydro-1,4-diazepineCas Number: 112275-50-0Formula: C10H20N2O2 Molecular Weight: 200.28IUPAC Name: tert-butyl 1,4-diazepane-1-carboxylateSMILES: CC(C)(C)OC(=O)N1CCCNCC1InChIKey: WDPWEXWMQDRXAL-UHFFFAOYSA-NInChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-4-5-11-6-8-12/h11H,4-8H2,1-3H3Synonyms: 1-homopiperazine carboxylic acid tert-butyl ester | BOC-HOMOPIPERAZINE | N-(t-Butyloxycarbonyl)-homopiperazine hydroc...
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6-methyl-3,6-diazabicyclo[3.2.0]heptaneCas Number: 1300091-93-3Formula: C6H12N2 Molecular Weight: 112.176IUPAC Name: 6-methyl-3,6-diazabicyclo[3.2.0]heptaneSMILES: CN1CC2C1CNC2InChIKey: ACXCQTFLEBVHNU-UHFFFAOYSA-NInChI: InChI=1S/C6H12N2/c1-8-4-5-2-7-3-6(5)8/h5-7H,2-4H2,1H3
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1,4-diazabicyclo[3.2.1]octane dihydrochlorideCas Number: 5492-61-5 Compound CID: 12374078Formula: C6H14Cl2N2 Molecular Weight: 185.09IUPAC Name: 1,4-diazabicyclo[3.2.1]octane;dihydrochlorideSMILES: C1CN2CCNC1C2.Cl.ClInChIKey: CTBNEKSAJTWOFM-UHFFFAOYSA-NInChI: InChI=1S/C6H12N2.2ClH/c1-3-8-4-2-7-6(1)5-8;;/h6-7H,1-5H2;2*1HSynonyms: 1,4-diazabicyclo[3.2.1]octane dihydrochloride|5492-61-5|(1R)-1,4-Diazabicyclo[3.2.1]octane dihydrochloride|1,4-diazab...
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tert-butyl (7R)-7-methyl-1,4-diazepane-1-carboxylateCas Number: 1638743-92-6Formula: C11H22N2O2 Molecular Weight: 214.309IUPAC Name: tert-butyl (7R)-7-methyl-1,4-diazepane-1-carboxylateSMILES: CC1CCNCCN1C(=O)OC(C)(C)CInChIKey: DUYDMHWWVXLFDB-SECBINFHSA-NInChI: InChI=1S/C11H22N2O2/c1-9-5-6-12-7-8-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m1/s1
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5-Oxo-[1,4]diazepane-1-carboxylic acid tert-butyl esterCas Number: 190900-21-1Formula: C10H18N2O3 Molecular Weight: 214.27IUPAC Name: tert-butyl 5-oxo-1,4-diazepane-1-carboxylateSMILES: CC(C)(C)OC(=O)N1CCC(=O)NCC1InChIKey: GLJYPTWEXBUATJ-UHFFFAOYSA-NInChI: InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-8(13)11-5-7-12/h4-7H2,1-3H3,(H,11,13)Synonyms: 1-n-boc-5-oxo-1,4-diazepane | A4210 | tert-butyl 5-oxo-1,4-diazepane-1-carboxylate | 5-Oxo-[1,4]diazepane-1-carboxyli...
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Homopiperazine-1,4-bis(2-ethanesulfonic acid)Cas Number: 202185-84-0 Compound CID: 4389145Formula: C9H20N2O6S2 Molecular Weight: 316.39IUPAC Name: 2-[4-(2-sulfoethyl)-1,4-diazepan-1-yl]ethanesulfonic acidSMILES: C1CN(CCN(C1)CCS(=O)(=O)O)CCS(=O)(=O)OInChIKey: QZTMPPUJIVQNKS-UHFFFAOYSA-NInChI: InChI=1S/C9H20N2O6S2/c12-18(13,14)8-6-10-2-1-3-11(5-4-10)7-9-19(15,16)17/h1-9H2,(H,12,13,14)(H,15,16,17)Synonyms: Homo-PIPES | 1H-1,4-Diazepine-1,4(5H)-diethanesulfonic acid, tetrahydro- | DTXSID00402747 | Homopiperazine-N,N invert...
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HomopiperazineCas Number: 505-66-8 EC Number: 208-016-1Formula: C5H12N2 Molecular Weight: 100.16IUPAC Name: 1,4-diazepaneSMILES: C1CNCCNC1InChIKey: FQUYSHZXSKYCSY-UHFFFAOYSA-NInChI: InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2Synonyms: BRN 0102711 | 2,3,4,5,6,7-Hexahydro-1H-1,4-diazepine | 1,4-Diazepane | Perhydro-1,4-diazepine | 1H-1,4-Diazepine, hex...
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5-methyl-1,4-diazepaneCas Number: 22777-05-5Formula: C6H14N2 Molecular Weight: 114.192IUPAC Name: 5-methyl-1,4-diazepaneSMILES: CC1CCNCCN1InChIKey: PCSCFJLGJHWKJL-UHFFFAOYSA-NInChI: InChI=1S/C6H14N2/c1-6-2-3-7-4-5-8-6/h6-8H,2-5H2,1H3Synonyms: 5-Methyl-[1,4]diazepane|22777-05-5|5-methyl-1,4-diazepane|MFCD09607985|1H-1,4-DIAZEPINE, HEXAHYDRO-5-METHYL-|HEXAHYDR...
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N-AcetylhomopiperazineCas Number: 61903-11-5Formula: C7H14N2O Molecular Weight: 142.2IUPAC Name: 1-(1,4-diazepan-1-yl)ethanoneSMILES: CC(=O)N1CCCNCC1InChIKey: TWJPZMYNUBAUGA-UHFFFAOYSA-NInChI: InChI=1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3Synonyms: DTXSID00400480 | SCHEMBL44868 | N-Acetylhomopperazne | 4-acetylhomopiperazine | AKOS000119045 | N-acetyl-homopiperizi...
