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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1319257
CHEMBL1319257
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H19N

Additional synonyms for CHEMBL1319257 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC(CC)CN
Standard InChI InChI=1S/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3
Standard InChI Key LTHNHFOGQMKPOV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1319257

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
129.3 129.1517 2.16 5 26.02 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.75 2.94 .03 0 9 0.6

Structural Alerts

There are 1 structural alerts for CHEMBL1319257. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LTHNHFOGQMKPOV-UHFFFAOYSA-N
PubChem SID: 144207934 SID: 17389330 SID: 17389331

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1319257



ACToR 104-75-6
Brenda 175208
ChemicalBook CB8852643
eMolecules 475801
EPA CompTox Dashboard DTXSID4025298
IBM Patent System 89DCDDE15B8F360C6A32DE008573CA21
Mcule MCULE-8640566132
MolPort MolPort-001-791-755
Nikkaji J47.019H
PubChem 7719
PubChem: Thomson Pharma 14747645
SureChEMBL SCHEMBL28690

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