RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0153070
RefMet name3-Methyl-1-butylamine
Systematic name3-methylbutan-1-amine
SynonymsPubChem Synonyms
Exact mass87.104799 (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
FormulaC5H13NView other entries in RefMet with this formula
Molecular descriptors
Molfile45022 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
InChIKeyBMFVGAAISNGQNM-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(C)CCN
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassFatty amines
Sub ClassMonoalkylamines
Distribution of 3-Methyl-1-butylamine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 3-Methyl-1-butylamine
External Links
Pubchem CID7894
ChEBI ID43689
KEGG IDC02640
HMDB IDHMDB0031659
Chemspider ID7606
Spectral data for 3-Methyl-1-butylamine 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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