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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL25877
CHEMBL25877
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H31N

Additional synonyms for CHEMBL25877 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC[C@@H]1CCC2CCC[C@H](CCCC)N12
Standard InChI InChI=1S/C16H31N/c1-3-5-8-14-10-7-11-16-13-12-15(17(14)16)9- ...
Download InChI
Standard InChI Key UOCFXYGIGYAYGN-QMRHZFGWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL25877

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
237.4 237.2456 4.75 6 3.24 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.7 6.02 3.13 0 17 0.64

Structural Alerts

There are no structural alerts for CHEMBL25877

Compound Cross References

ChemSpider ChemSpider:UOCFXYGIGYAYGN-QMRHZFGWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL25877



BindingDB 50089159
PubChem 44459697

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