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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1232234
CHEMBL1232234
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H14N2

Additional synonyms for CHEMBL1232234 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCCN
Standard InChI InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3
Standard InChI Key IUNMPGNGSSIWFP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1232234

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
102.2 102.1157 -0.1 3 29.26 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.13 -.21 -3.46 0 7 0.54

Structural Alerts

There are no structural alerts for CHEMBL1232234

Compound Cross References

ChemSpider ChemSpider:IUNMPGNGSSIWFP-UHFFFAOYSA-N
PubChem SID: 144209246 SID: 144213645
Wikipedia Dimethylaminopropylamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1232234



ACToR 109-55-7 30734-81-7
Brenda 135419
ChemicalBook CB4690630
eMolecules 490954
EPA CompTox Dashboard DTXSID5025102
FDA SRS I98I2UEC03
IBM Patent System 5E40C2547B93920E034A1D362175B433
Mcule MCULE-9301668058
MolPort MolPort-001-791-758
Nikkaji J50.732F
NMRShiftDB 10008671
PDBe DIB
PubChem 7993
PubChem: Thomson Pharma 15170477
SureChEMBL SCHEMBL30161
ZINC ZINC000001587811

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