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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3186488
CHEMBL3186488
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H15N

Additional synonyms for CHEMBL3186488 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCCNCCC1
Standard InChI InChI=1S/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2
Standard InChI Key QXNDZONIWRINJR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3186488

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
113.2 113.1204 1.54 0 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
- 11.33 1.67 -1.37 0 8 0.5

Structural Alerts

There are no structural alerts for CHEMBL3186488

Compound Cross References

ChemSpider ChemSpider:QXNDZONIWRINJR-UHFFFAOYSA-N
PubChem SID: 144209788

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3186488



ACToR 1121-92-2
ChEBI 38792
eMolecules 516461
EPA CompTox Dashboard DTXSID2020680
IBM Patent System B20F5556E6FDAC92A055420CD67A08A4
Mcule MCULE-9979746026
MolPort MolPort-001-783-610
Nikkaji J54.709C
NMRShiftDB 20200925
PubChem 14276
PubChem: Thomson Pharma 14769294
SureChEMBL SCHEMBL55259
ZINC ZINC000003643847

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