Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 551ME47I15
EPA CompTox DTXSID20188258

Structure

InChI Key IBMCQJYLPXUOKM-UHFFFAOYSA-N
Smiles CN1C(C)(C)CC=CC1(C)C
InChI
InChI=1S/C10H19N/c1-9(2)7-6-8-10(3,4)11(9)5/h6-7H,8H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H19N1
Molecular Weight 153.15
AlogP 2.44
Hydrogen Bond Acceptor 1.0
Polar Surface Area 3.24
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 34703-49-6
NORMAN SUSDAT
FDA SRS 551ME47I15