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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3186662
CHEMBL3186662
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H17N

Additional synonyms for CHEMBL3186662 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C1CCCCC1
Standard InChI InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
Standard InChI Key SVYKKECYCPFKGB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3186662

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
127.2 127.1361 1.88 1 3.24 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.72 2.09 -.81 0 9 0.52

Structural Alerts

There are no structural alerts for CHEMBL3186662

Compound Cross References

ChemSpider ChemSpider:SVYKKECYCPFKGB-UHFFFAOYSA-N
PubChem SID: 144208558

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3186662



ACToR 130254-81-8 98-94-2
Brenda 109210 109249
ChEBI 59022
ChemicalBook CB1854754
eMolecules 495150
EPA CompTox Dashboard DTXSID9026633
FDA SRS N1H19E7HTA
IBM Patent System 41E30B7322766761D6EF0ADE4509F715
Mcule MCULE-9944021193
MolPort MolPort-003-929-304
Nikkaji J4.960C
PubChem 7415
PubChem: Thomson Pharma 15297202
SureChEMBL SCHEMBL15595
ZINC ZINC000001640007

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