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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:54 UTC
Update Date2025-03-25 00:49:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02173656
Frequency0.5
Structure
Chemical FormulaC12H16N2
Molecular Mass188.1313
SMILESCCC(C1=NCCN1)c1ccccc1
InChI KeyYLUAHEDMIVBAHE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • carboximidamides
  • hydrocarbon derivatives
  • imidazolines
  • imidolactams
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • phenylpropane
  • 2-imidazoline
  • imidazoline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidolactam
  • organoheterocyclic compound