Compound Identification
SMILES
CC(C)C1=CC=C(N[C@H]2CCC[NH+](CCCN3C=CC=N3)C2)C=C1
InChIKey
InChIKey=MKEVMNOWKOAPRB-FQEVSTJZSA-O
Formula
C20H31N4
Mass
327.495
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Aminopiperidines Quaternary ammonium salts Pyrazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cumene - Phenylpropane - Aniline or substituted anilines - Phenylalkylamine - 3-aminopiperidine - Secondary aliphatic/aromatic amine - Piperidine - Quaternary ammonium salt - Pyrazole - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Organoheterocyclic compound - Secondary amine - Azacycle - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available