Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID1067203

Structure

InChI Key MAVLRJDQJZJTQP-UHFFFAOYSA-N
Smiles CCCNCC1CC1
InChI
InChI=1S/C7H15N/c1-2-5-8-6-7-3-4-7/h7-8H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N1
Molecular Weight 113.12
AlogP 1.4
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 26389-60-6
NORMAN SUSDAT
PubChem 117787
ChemSpider 63890.0