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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1171864
CHEMBL1171864
Compound Name CYCLOHEPTANAMINE
ChEMBL Synonyms Cycloheptanamine
Max Phase 0
Trade Names
Molecular Formula C7H15N

Additional synonyms for CHEMBL1171864 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1CCCCCC1
Standard InChI InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2
Standard InChI Key VXVVUHQULXCUPF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1171864

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
113.2 113.1204 1.67 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
- 11.04 2.03 -.96 0 8 0.47

Structural Alerts

There are no structural alerts for CHEMBL1171864

Compound Cross References

ChemSpider ChemSpider:VXVVUHQULXCUPF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1171864



ACToR 5452-35-7
Brenda 193208 49959
eMolecules 495011
EPA CompTox Dashboard DTXSID7063899
IBM Patent System 4AC6D96498297611D56C7ED3BF81F796
Mcule MCULE-6214185878
MolPort MolPort-000-871-496
Nikkaji J217H
NMRShiftDB 20055877
PDBe SZ1
PubChem 2899
PubChem: Thomson Pharma 15982723
SureChEMBL SCHEMBL50158
ZINC ZINC000003797742

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