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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL109819
CHEMBL109819
Compound Name DECYLAMINE
ChEMBL Synonyms Decylamine
Max Phase 0
Trade Names
Molecular Formula C10H23N

Additional synonyms for CHEMBL109819 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCN
Standard InChI InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3
Standard InChI Key MHZGKXUYDGKKIU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL109819

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
157.3 157.183 3.09 8 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
- 10.7 4.11 1.23 0 11 0.54

Structural Alerts

There are 9 structural alerts for CHEMBL109819. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MHZGKXUYDGKKIU-UHFFFAOYSA-N
PubChem SID: 144208501 SID: 144213255

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL109819



ACToR 2016-57-1
BindingDB 50147566
Brenda 16075 44506
eMolecules 496621
EPA CompTox Dashboard DTXSID2022171
FDA SRS M9KKQ6ZZG9
IBM Patent System 0B6E54B0E8309C78493943D5D68F9B6C
MolPort MolPort-001-787-384
Nikkaji J7.849B
NMRShiftDB 10008953
PubChem 8916
PubChem: Thomson Pharma 15170975
SureChEMBL SCHEMBL20619
ZINC ZINC000001545436

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