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4-Methyl-2,3,4,5-tetrahydropyridin-6-amine , CAS No.165383-71-1
Basic Description
Synonyms
2-imino-4-methylpiperidine | 4-methyl-2,3,4,5-tetrahydropyridin-6-amine | 4-Methyl-piperidin-(2E)-ylideneamine | DTXSID00390857 | CHEBI:183992 | BDBM50062133 | 4-Methyl-piperidin-(2Z)-ylideneamine | AKOS006348873 | PD050547 | FT-0722141 | 524943-80-4
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Not available
Direct Parent
Tetrahydropyridines
Alternative Parents
Imidolactams Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives Amines
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Tetrahydropyridine - Imidolactam - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as tetrahydropyridines. These are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-methyl-2,3,4,5-tetrahydropyridin-6-amine
INCHI
InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)
InChIKey
GGDLOMFAKKVDPT-UHFFFAOYSA-N
Smiles
CC1CCN=C(C1)N
Isomeric SMILES
CC1CCN=C(C1)N
Molecular Weight
112.17
Reaxy-Rn
46811714
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=46811714&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
112.170 g/mol
XLogP3
-0.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
112.1 Da
Monoisotopic Mass
112.1 Da
Topological Polar Surface Area
38.400 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
107.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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