Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID401001271

Structure

InChI Key DPBOCZZMRUVIDT-UHFFFAOYSA-N
Smiles O=C(N(C)C)CC(C)CC(C)(C)C
InChI
InChI=1/C11H23NO/c1-9(8-11(2,3)4)7-10(13)12(5)6/h9H,7-8H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H23NO
Molecular Weight 185.18
AlogP 2.54
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 80480-32-6
NORMAN SUSDAT
PubChem 3018943