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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1450356
CHEMBL1450356
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H15N

Additional synonyms for CHEMBL1450356 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NC(C)C
Standard InChI InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3
Standard InChI Key UAOMVDZJSHZZME-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1450356

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 1.39 2 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
- 10.76 1.36 -1.55 0 7 0.55

Structural Alerts

There are no structural alerts for CHEMBL1450356

Compound Cross References

ChemSpider ChemSpider:UAOMVDZJSHZZME-UHFFFAOYSA-N
PubChem SID: 144204626 SID: 144207414 SID: 170466002 SID: 17389043

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1450356



ACToR 108-18-9
ChemicalBook CB5852738
eMolecules 478550
EPA CompTox Dashboard DTXSID9025085
FDA SRS BR9JLI40NO
IBM Patent System 05FE7291F6EED31CE4F40E52863D5020
Mcule MCULE-9048109449
MolPort MolPort-001-759-225
Nikkaji J1.496F
NMRShiftDB 10016924
PubChem 7912
PubChem: Thomson Pharma 14842832
SureChEMBL SCHEMBL2020
ZINC ZINC000004674523

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