Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NUT8Z0X1L0
EPA CompTox DTXSID9070953

Structure

InChI Key HFFBUTJCQGSVLC-UHFFFAOYSA-N
Smiles CCCN(C)C1CC1
InChI
InChI=1S/C7H15N/c1-3-6-8(2)7-4-5-7/h7H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N1
Molecular Weight 113.12
AlogP 1.49
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 67990-21-0
NORMAN SUSDAT
FDA SRS NUT8Z0X1L0
PubChem 106316
ChemSpider 73146.0