Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40202985

Structure

InChI Key SWIVDNYSVCBPDH-UHFFFAOYSA-N
Smiles CC(C)C(C(C)C)N(C)C
InChI
InChI=1S/C9H21N/c1-7(2)9(8(3)4)10(5)6/h7-9H,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H21N1
Molecular Weight 143.17
AlogP 2.23
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 54561-96-5
NORMAN SUSDAT
PubChem 6453029
ChemSpider 4955426.0