Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:14 UTC
Update Date2025-03-25 00:49:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172116
Frequency0.5
Structure
Chemical FormulaC14H18N2
Molecular Mass214.147
SMILESCN1CCC23CC1CC2Nc1ccccc13
InChI KeyLNHDOCMPQQGZOY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indolines
Direct Parent 2,3-cyclopentanoindolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • azepanes
  • benzenoids
  • hydrocarbon derivatives
  • indoles
  • organopnictogen compounds
  • piperidines
  • secondary alkylarylamines
  • trialkylamines
  • Substituents
  • azacycle
  • indole
  • tertiary aliphatic amine
  • secondary amine
  • secondary aliphatic/aromatic amine
  • azepane
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2,3-cyclopentanoindoline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • piperidine
  • amine
  • tertiary amine