Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:36 UTC
Update Date2025-03-21 18:37:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116642
Frequency22.5
Structure
Chemical FormulaC12H19N
Molecular Mass177.1518
SMILESCN(C)CCCCc1ccccc1
InChI KeyVTFLIYPNOKEFRW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aromatic homomonocyclic compound
  • phenylbutylamine
  • tertiary aliphatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine