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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1794762
CHEMBL1794762
Compound Name CYCLOHEXYLAMINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H13N

Additional synonyms for CHEMBL1794762 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1CCCCC1
Standard InChI InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
Standard InChI Key PAFZNILMFXTMIY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL1794762

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
99.2 99.1048 1.28 0 26.02 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.57 1.5 -1.33 0 7 0.49

Structural Alerts

There are no structural alerts for CHEMBL1794762

Compound Cross References

ChemSpider ChemSpider:PAFZNILMFXTMIY-UHFFFAOYSA-N
PubChem SID: 144209578 SID: 144210358

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1794762



ACToR 108-91-8
BindingDB 81970
Brenda 198529 108811 1862
ChEBI 15773
ChemicalBook CB8139274
eMolecules 490970
EPA CompTox Dashboard DTXSID1023996
FDA SRS I6GH4W7AEG
Guide to Pharmacology 5507
Human Metabolome Database HMDB0031404
IBM Patent System C4E4B2C1BB3CAE5889EEA219F85B5FC8
KEGG Ligand C00571
Mcule MCULE-7654331405
Metabolights MTBLC15773
MolPort MolPort-000-871-531
Nikkaji J2.870C
NMRShiftDB 10005734
PubChem 7965
PubChem: Thomson Pharma 15321114
SureChEMBL SCHEMBL2459
ZINC ZINC000012358775

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/PAFZNILMFXTMIY-UHFFFAOYSA-N spacer
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