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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL119296
CHEMBL119296
Compound Name
ChEMBL Synonyms Pentane-1,5-Diamine
Max Phase 0
Trade Names
Molecular Formula C5H14N2

Additional synonyms for CHEMBL119296 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCCCN
Standard InChI InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
Standard InChI Key VHRGRCVQAFMJIZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL119296

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
102.2 102.1157 -0.38 4 52.04 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.86 -.12 -4.2 0 7 0.48

Structural Alerts

There are 3 structural alerts for CHEMBL119296. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VHRGRCVQAFMJIZ-UHFFFAOYSA-N
PubChem SID: 29218043
Wikipedia Cadaverine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL119296



ACToR 462-94-2
BindingDB 50323741
Brenda 45475 533 111637 3172 42870
ChEBI 18127
DrugBank DB03854
eMolecules 498259
EPA CompTox Dashboard DTXSID5075448
FDA SRS L90BEN6OLL
Human Metabolome Database HMDB0002322
KEGG Ligand C01672
Mcule MCULE-3785554987
Metabolights MTBLC18127
MolPort MolPort-002-317-350
Nikkaji J5.771A
NMRShiftDB 10016947
PDBe N2P
PubChem 273
PubChem: Thomson Pharma 15297005
SureChEMBL SCHEMBL21367
ZINC ZINC000001529253

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