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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:37 UTC
Update Date2025-03-25 00:45:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150246
Frequency0.5
Structure
Chemical FormulaC12H19N3
Molecular Mass205.1579
SMILESCc1cccnc1CN1CCN(C)CC1
InChI KeyIRLJCOHPUISNDQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass 2-pyridylmethylamines
Direct Parent 2-pyridylmethylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • aralkylamines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-methylpiperazines
  • organopnictogen compounds
  • polyhalopyridines
  • trialkylamines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • 2-pyridylmethylamine
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • n-methylpiperazine
  • methylpyridine
  • aralkylamine
  • piperazine
  • 1,4-diazinane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • amine
  • tertiary amine