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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1171859
CHEMBL1171859
Compound Name CYCLOPENTANAMINE
ChEMBL Synonyms Cyclopentanamine
Max Phase 0
Trade Names
Molecular Formula C5H11N

Additional synonyms for CHEMBL1171859 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1CCCC1
Standard InChI InChI=1S/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2
Standard InChI Key NISGSNTVMOOSJQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1171859

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
85.2 85.0891 0.89 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
- 10.8 .97 -1.95 0 6 0.46

Structural Alerts

There are no structural alerts for CHEMBL1171859

Compound Cross References

ChemSpider ChemSpider:NISGSNTVMOOSJQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1171859



ACToR 1003-03-8
Brenda 32609 193213
ChemicalBook CB7852565
eMolecules 495855
EPA CompTox Dashboard DTXSID4061387
FDA SRS 4259VRY3GN
IBM Patent System 7B70252F5D98CC046E250BC360C52625
Mcule MCULE-2292038009
MolPort MolPort-000-871-509
Nikkaji J13.547J
NMRShiftDB 20055875
PDBe 1CB
PubChem 2906
PubChem: Thomson Pharma 14891395
SureChEMBL SCHEMBL9222
ZINC ZINC000004789977

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