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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14178
CHEMBL14178
Compound Name
ChEMBL Synonyms 1-Ethyl-Propylamine
Max Phase 0
Trade Names
Molecular Formula C5H13N

Additional synonyms for CHEMBL14178 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(N)CC
Standard InChI InChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3
Standard InChI Key PQPFFKCJENSZKL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL14178

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
87.2 87.1048 1.13 2 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
- 10.8 1.41 -1.51 0 6 0.54

Structural Alerts

There are no structural alerts for CHEMBL14178

Compound Cross References

ChemSpider ChemSpider:PQPFFKCJENSZKL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14178



ACToR 616-24-0
ChEBI 84248
eMolecules 486886
EPA CompTox Dashboard DTXSID8060662
FDA SRS 3N2IT605HV
IBM Patent System CBFCF010AABB890631B9695EFD997BB4
Mcule MCULE-4261937519
Metabolights MTBLC84248
MolPort MolPort-001-759-279
Nikkaji J76K
NMRShiftDB 20208932
PDBe D0M
PubChem 12019
PubChem: Thomson Pharma 15264719
SureChEMBL SCHEMBL16151
ZINC ZINC000005023935

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