Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:57 UTC
Update Date2025-03-21 18:31:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00086008
Frequency33.2
Structure
Chemical FormulaC16H18N2
Molecular Mass238.147
SMILESCNC1CCC(c2ccccn2)c2ccccc21
InChI KeyLQRZKKKVFGRVDS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organopnictogen compounds
  • Substituents
  • tetralin
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • secondary amine
  • pyridine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organoheterocyclic compound
  • amine