Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9EFL2A1TKD
EPA CompTox DTXSID30183592

Structure

InChI Key QWERMLCFPMTLTG-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCNC
InChI
InChI=1S/C15H33N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-2/h16H,3-15H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H33N1
Molecular Weight 227.26
AlogP 4.91
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 12.03
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 29369-63-9
NORMAN SUSDAT
FDA SRS 9EFL2A1TKD
PubChem 122360
ChemSpider 109099.0