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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

Structural Alerts

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

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

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
BindinDB 50323742
ChEBI 30629
eMolecules 482834
FDA SRS 03K6SX4V2J
Human Metabolome Database HMDB31413
Mcule MCULE-4803305991
MolPort MolPort-003-930-024
Nikkaji J5.108J
NMRShiftDB 20045577
PubChem 8111
PubChem: Thomson Pharma 15297012
SureChEMBL SCHEMBL15381

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