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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL120433
CHEMBL120433
Compound Name DIMETHYLAMINE
ChEMBL Synonyms Dimethylamine Hcl | Dimethylammonium | Dimethyl-Amine | Dimethylamine
Max Phase 0
Trade Names
Molecular Formula C2H7N

Additional synonyms for CHEMBL120433 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC
Standard InChI InChI=1S/C2H7N/c1-3-2/h3H,1-2H3
Standard InChI Key ROSDSFDQCJNGOL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL120433

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
45.1 45.0578 -0.22 0 12.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.74 -.36 -3.26 0 3 0.4

Structural Alerts

There are no structural alerts for CHEMBL120433

Compound Cross References

ChemSpider ChemSpider:ROSDSFDQCJNGOL-UHFFFAOYSA-N
Wikipedia Dimethylamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL120433



ACToR 124-40-3
BindingDB 50416497
Brenda 94998 86831 1680
ChEBI 17170
eMolecules 475717
EPA CompTox Dashboard DTXSID5024057
FDA SRS ARQ8157E0Q
Guide to Pharmacology 5177
Human Metabolome Database HMDB0000087
KEGG Ligand C00543
Mcule MCULE-2809467532
Metabolights MTBLC17170
MolPort MolPort-001-783-813
Nikkaji J1.943.801E J2.933E
NMRShiftDB 10016918
PDBe DMN
PubChem 674
PubChem: Thomson Pharma 15218587
SureChEMBL SCHEMBL1030

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