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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL298481
CHEMBL298481
Compound Name
ChEMBL Synonyms Methyl-Pentyl-Amine
Max Phase 0
Trade Names
Molecular Formula C6H15N

Additional synonyms for CHEMBL298481 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCNC
Standard InChI InChI=1S/C6H15N/c1-3-4-5-6-7-2/h7H,3-6H2,1-2H3
Standard InChI Key UOIWOHLIGKIYFE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL298481

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 1.4 4 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
- 10.84 1.68 -1.26 0 7 0.53

Structural Alerts

There are 3 structural alerts for CHEMBL298481. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UOIWOHLIGKIYFE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL298481



ACToR 25419-06-1
eMolecules 515012
EPA CompTox Dashboard DTXSID90180082
MolPort MolPort-001-791-519
Nikkaji J121.773I
PubChem 117479
PubChem: Thomson Pharma 26682683
SureChEMBL SCHEMBL231680
ZINC ZINC000002390167

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