RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0153531
RefMet nameOctylamine
Systematic nameoctan-1-amine
SynonymsPubChem Synonyms
Exact mass129.151749 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC8H19NView other entries in RefMet with this formula
Molecular descriptors
Molfile67555 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
InChIKeyIOQPZZOEVPZRBK-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCCCCCN
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassFatty amines
Sub ClassMonoalkylamines
Distribution of Octylamine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Octylamine
External Links
Pubchem CID8143
ChEBI ID7728
KEGG IDC01740
HMDB IDHMDB0255916
Spectral data for Octylamine standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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