Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GDL85J4ENF
EPA CompTox DTXSID60186036

Structure

InChI Key KWHPWBXOLZTZMJ-UHFFFAOYSA-N
Smiles CCC1CCNCC1
InChI
InChI=1S/C7H15N/c1-2-7-3-5-8-6-4-7/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 1.0
Polar Surface Area 12.03
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 3230-23-7
NORMAN SUSDAT
FDA SRS GDL85J4ENF
PubChem 76704
ChemSpider 69164.0