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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1170791
CHEMBL1170791
Compound Name CYCLOOCTANAMINE
ChEMBL Synonyms Cyclooctanamine
Max Phase 0
Trade Names
Molecular Formula C8H17N

Additional synonyms for CHEMBL1170791 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1CCCCCCC1
Standard InChI InChI=1S/C8H17N/c9-8-6-4-2-1-3-5-7-8/h8H,1-7,9H2
Standard InChI Key HSOHBWMXECKEKV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1170791

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
127.2 127.1361 2.06 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
- 11.03 2.55 -.43 0 9 0.53

Structural Alerts

There are no structural alerts for CHEMBL1170791

Compound Cross References

ChemSpider ChemSpider:HSOHBWMXECKEKV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1170791



ACToR 5452-37-9
Brenda 5880
eMolecules 535733
EPA CompTox Dashboard DTXSID9063900
FDA SRS HE0JPO6GS5
IBM Patent System 58C972E231F4A69EC4DE6A7CC1814A9A
Mcule MCULE-6537375543
MolPort MolPort-000-871-494
Nikkaji J1.836H
NMRShiftDB 20055876
PubChem 2903
PubChem: Thomson Pharma 15339149
SureChEMBL SCHEMBL130985
ZINC ZINC000003860310

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