ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14409
CHEMBL14409
Compound Name PROPYLAMINE
ChEMBL Synonyms Propylamine
Max Phase 0
Trade Names
Molecular Formula C3H9N

Additional synonyms for CHEMBL14409 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN
Standard InChI InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
Standard InChI Key WGYKZJWCGVVSQN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL14409

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
59.1 59.0735 0.22 1 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
- 10.66 .55 -2.32 0 4 0.46

Structural Alerts

There are no structural alerts for CHEMBL14409

Compound Cross References

ChemSpider ChemSpider:WGYKZJWCGVVSQN-UHFFFAOYSA-N
Wikipedia Propylamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14409



ACToR 107-10-8 68187-43-9 68130-69-8 68130-70-1 68187-44-0 68187-45-1
Brenda 1419 30653 80354 5192 198913
ChEBI 39870
eMolecules 478528
EPA CompTox Dashboard DTXSID6021878
FDA SRS I76F18D635
Human Metabolome Database HMDB0034006
Mcule MCULE-2885523792
MolPort MolPort-001-779-600
Nikkaji J4.052E
NMRShiftDB 10016921
PDBe 3CN
PubChem 7852
PubChem: Thomson Pharma 15296863
SureChEMBL SCHEMBL9181
ZINC ZINC000016052656

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