Structure

InChI Key JWUXJYZVKZKLTJ-UHFFFAOYSA-N
Smiles CC1(C)CC(=O)CC(C)(C)N1
InChI
InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H17N1O1
Molecular Weight 155.13
AlogP 1.5
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 29.1
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 826-36-8
NORMAN SUSDAT
FDA SRS 2K4430S3XP
PubChem 13220
ChemSpider 12665.0