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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:28 UTC
Update Date2025-03-25 00:56:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218601
Frequency0.5
Structure
Chemical FormulaC11H16N2
Molecular Mass176.1313
SMILESCNCC1CCNc2ccccc21
InChI KeyNESYAQNNEKBXPK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass hydroquinolines
Direct Parent hydroquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alkylarylamines
    • Substituents
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • tetrahydroquinoline
  • amine