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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3184528
CHEMBL3184528
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H19N

Additional synonyms for CHEMBL3184528 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCNCCCC
Standard InChI InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3
Standard InChI Key JQVDAXLFBXTEQA-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3184528

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
129.3 129.1517 2.18 6 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
- 11.03 2.69 -.29 0 9 0.54

Structural Alerts

There are 3 structural alerts for CHEMBL3184528. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JQVDAXLFBXTEQA-UHFFFAOYSA-N
PubChem SID: 144207616

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3184528



ACToR 111-92-2
ChemicalBook CB8416375
eMolecules 484108
EPA CompTox Dashboard DTXSID7024952
FDA SRS 2194M2LA21
IBM Patent System 15C5BB84868FABA36E822174436B7132
Mcule MCULE-6002936904
MolPort MolPort-001-783-815
Nikkaji J2.886J
NMRShiftDB 10008680
PubChem 8148
PubChem: Thomson Pharma 14769345
SureChEMBL SCHEMBL2532
ZINC ZINC000001666746

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