Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 313QE5199Z
EPA CompTox DTXSID50863263

Structure

InChI Key PAVORIOUUILGMQ-UHFFFAOYSA-N
Smiles CN(C(C)(C)C)C(C)(C)C#C
InChI
InChI=1S/C10H19N/c1-8-10(5,6)11(7)9(2,3)4/h1H,2-7H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H19N1
Molecular Weight 153.15
AlogP 2.13
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 3735-65-7
NORMAN SUSDAT
FDA SRS 313QE5199Z