Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID9062770

Structure

InChI Key WCVHUIPWSPEOIG-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCN(C)C
InChI
InChI=1S/C19H41N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3/h4-19H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H41N1
Molecular Weight 283.32
AlogP 6.42
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 16.0
Polar Surface Area 3.24
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 3002-57-1
NORMAN SUSDAT
PubChem 16219
ChemSpider 15391.0