Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6YF99WM20L
EPA CompTox DTXSID4052477

Structure

InChI Key FTYAXYWEDPWJCJ-UHFFFAOYSA-N
Smiles CCC(CC)c1ccccn1
InChI
InChI=1S/C10H15N/c1-3-9(4-2)10-7-5-6-8-11-10/h5-9H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1
Molecular Weight 149.12
AlogP 2.99
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 7399-50-0
NORMAN SUSDAT
FDA SRS 6YF99WM20L
PubChem 81887
ChemSpider 73895.0