Structure Information
Structure

Compound Identification

SMILES

NCCC1=CN=CN1

InChIKey

InChIKey=NTYJJOPFIAHURM-UHFFFAOYSA-N

Formula

C5H9N3

Mass

111.148

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic nitrogen compounds

Class

Organonitrogen compounds

Subclass

Amines

Intermediate Tree Nodes

Primary amines

Direct Parent

2-arylethylamines

Alternative Parents

Aralkylamines Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-arylethylamine - Aralkylamine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic group.

External Descriptors

CHEBI:18295 : imidazoles - aralkylamino compound
KEGG (C00388) : Biogenic amines - Histamine

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