cyclohexylamine   

GtoPdb Ligand ID: 5507

Compound class: Synthetic organic
Comment: The human Human Metabolome Database (HMDB) suggests that cyclohexylamine a human xenobiotic metabolite (see HMDB0031404), but does not specify from which exogenous subtance(s) it is generated.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 26.02
Molecular weight 99.1
XLogP 1.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC1CCCCC1
Isomeric SMILES NC1CCCCC1
InChI InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
InChI Key PAFZNILMFXTMIY-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
Cyclohexanamine
Comments
The human Human Metabolome Database (HMDB) suggests that cyclohexylamine a human xenobiotic metabolite (see HMDB0031404), but does not specify from which exogenous subtance(s) it is generated.
Database Links
CAS Registry No. 108-91-8 (source: Scifinder)
ChEBI CHEBI:15773
ChEMBL Ligand CHEMBL1794762
GtoPdb PubChem SID 178102153
PubChem CID 7965
Search Google for chemical match using the InChIKey PAFZNILMFXTMIY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PAFZNILMFXTMIY
Search UniChem for chemical match using the InChIKey PAFZNILMFXTMIY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PAFZNILMFXTMIY
Wikipedia Cyclohexylamine