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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL303429
CHEMBL303429
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C4H13N3

Additional synonyms for CHEMBL303429 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCNCCN
Standard InChI InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2
Standard InChI Key RPNUMPOLZDHAAY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL303429

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
103.2 103.1109 -1.87 4 64.06 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 3 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.97 -1.73 -5.59 0 7 0.37

Structural Alerts

There are 3 structural alerts for CHEMBL303429. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RPNUMPOLZDHAAY-UHFFFAOYSA-N
PubChem SID: 144206647 SID: 144208651 SID: 144213431 SID: 29217794
Wikipedia Diethylenetriamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL303429



ACToR 111-40-0
BindingDB 50323742
Brenda 11881 109678
ChEBI 30629
eMolecules 482834
EPA CompTox Dashboard DTXSID2025050
FDA SRS 03K6SX4V2J
Human Metabolome Database HMDB0031413
Mcule MCULE-4803305991
MolPort MolPort-003-930-024
Nikkaji J5.108J
NMRShiftDB 20045577
PubChem 8111
PubChem: Thomson Pharma 15297012
SureChEMBL SCHEMBL15381
ZINC ZINC000019230152

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