Compound Identification
SMILES
N#CC1=CC(C[NH+]2CC[NH2+]CC2)=CC=C1
InChIKey
InChIKey=XDYXEYUQBGLAOZ-UHFFFAOYSA-P
Formula
C12H17N3
Mass
203.288
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylmethylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylmethylamines
Alternative Parents
Benzylamines Benzonitriles N-alkylpiperazines Aralkylamines Quaternary ammonium salts Trialkylamines Nitriles Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Organoheterocyclic compound - Azacycle - Nitrile - Carbonitrile - Secondary aliphatic amine - Amine - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors
Not available