RefMet Compound Details

MW structure56068 (View MW Metabolite Database details)
RefMet nameTributylamine
Systematic nameN,N-dibutylbutan-1-amine
SMILESCCCCN(CCCC)CCCC   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass185.214349 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC12H27NView other entries in RefMet with this formula
InChIKeyIMFACGCPASFAPR-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic nitrogen compounds
Main ClassAmines
Sub ClassTrialkylamines
Pubchem CID7622
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)