Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:07:23 UTC
Update Date2025-03-21 18:29:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00079917
Frequency36.4
Structure
Chemical FormulaC18H21N3
Molecular Mass279.1735
SMILESCN(C)CCC(c1ccccn1)c1c[nH]c2ccccc12
InChI KeyJMBIBSYSGCLEDF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organopnictogen compounds
  • pyrroles
  • trialkylamines
  • Substituents
  • azacycle
  • indole
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • pyridine
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound
  • amine
  • tertiary amine