Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9A5D20NJX6
EPA CompTox DTXSID6064585

Structure

InChI Key XRKQMIFKHDXFNQ-UHFFFAOYSA-N
Smiles CCN(C1CCCCC1)C1CCCCC1
InChI
InChI=1S/C14H27N/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H27N1
Molecular Weight 209.21
AlogP 3.97
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 7175-49-7
NORMAN SUSDAT
FDA SRS 9A5D20NJX6
PubChem 23563
ChemSpider 22032.0