Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70186567

Structure

InChI Key WSXNTFRNRURORJ-UHFFFAOYSA-N
Smiles CN(C)CC(C)(C)CC(C)(C)C
InChI
InChI=1S/C11H25N/c1-10(2,3)8-11(4,5)9-12(6)7/h8-9H2,1-7H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H25N1
Molecular Weight 171.2
AlogP 3.01
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 32905-75-2
NORMAN SUSDAT
PubChem 118353
ChemSpider 105779.0