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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

Structural Alerts

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

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 NEUTRAL


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
10.23 1.97 3.73 3.73 0 7 0.48

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
ChEBI 18127
DrugBank DB03854
eMolecules 498259
FDA SRS L90BEN6OLL
Human Metabolome Database HMDB02322
KEGG Ligand C01672
Mcule MCULE-3785554987
MolPort MolPort-002-317-350
Nikkaji J5.771A
NMRShiftDB 10016947
PDBe N2P
PubChem 273
PubChem: Thomson Pharma 15297005
SureChEMBL SCHEMBL21367

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