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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 0.07 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 0.49

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 3172 111637 42870
ChEBI 18127
ChemicalBook CB7853643
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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