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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1189
CHEMBL1189
Compound Name DIETHYLAMINE
ChEMBL Synonyms Diethyl-Amine | Diethylamine
Max Phase 0
Trade Names
Molecular Formula C4H11N

Additional synonyms for CHEMBL1189 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNCC
Standard InChI InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3
Standard InChI Key HPNMFZURTQLUMO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1189

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
73.1 73.0891 0.62 2 12.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.76 .66 -2.25 0 5 0.5

Structural Alerts

There are no structural alerts for CHEMBL1189

Compound Cross References

ChemSpider ChemSpider:HPNMFZURTQLUMO-UHFFFAOYSA-N
PubChem SID: 144209704 SID: 17389600
Wikipedia Diethylamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1189



ACToR 109-89-7
Brenda 8091
ChEBI 85259
ChemicalBook CB5447259
eMolecules 483410
EPA CompTox Dashboard DTXSID6021909
FDA SRS B035PIS86W
Human Metabolome Database HMDB0041878
Mcule MCULE-6895602113
MolPort MolPort-000-872-068
Nikkaji J807I
NMRShiftDB 7993
PubChem 8021
PubChem: Thomson Pharma 14769226
SureChEMBL SCHEMBL2698
ZINC ZINC000001661184

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