ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL284057
CHEMBL284057
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H15N

Additional synonyms for CHEMBL284057 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CC
Standard InChI InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
Standard InChI Key ZMANZCXQSJIPKH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL284057

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
101.2 101.1204 1.37 3 3.24 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.62 1.65 -1.21 0 7 0.52

Structural Alerts

There are no structural alerts for CHEMBL284057

Compound Cross References

ChemSpider ChemSpider:ZMANZCXQSJIPKH-UHFFFAOYSA-N
PubChem SID: 144208071
Wikipedia Triethylamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL284057



ACToR 121-44-8
Brenda 10892
ChEBI 35026
eMolecules 484528
EPA CompTox Dashboard DTXSID3024366
FDA SRS VOU728O6AY
Human Metabolome Database HMDB0032539
IBM Patent System BA1E5965F118970F3E498C2BBE3D20AE B57901E0D40BF75F72329B5612EABF36
KEGG Ligand C14691
Mcule MCULE-6692975244
Nikkaji J2.485F
NMRShiftDB 10016920
PubChem 8471
PubChem: Thomson Pharma 15315375
SureChEMBL SCHEMBL30
ZINC ZINC000001242720

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