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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1198608
CHEMBL1198608
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H15N2

Additional synonyms for CHEMBL1198608 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCn1cc[n+](C)c1
Standard InChI InChI=1S/C8H15N2/c1-3-4-5-10-7-6-9(2)8-10/h6-8H,3-5H2,1-2H3/ ...
Download InChI
Standard InChI Key IQQRAVYLUAZUGX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1198608

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
139.2 139.1235 2.59 3 8.8 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -1.59 -1.59 1 10 0.57

Structural Alerts

There are 2 structural alerts for CHEMBL1198608. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IQQRAVYLUAZUGX-UHFFFAOYSA-N
PubChem SID: 29218032
Wikipedia C4mim

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1198608



ACToR 80432-08-2
ChEBI 61333
eMolecules 36378220
EPA CompTox Dashboard DTXSID6047238
FDA SRS 02N2G4U2OV
IBM Patent System CE091602505422CD125E6C43C5CDF8B5 4201CA96A54C3DE315BFE3F93774E701
Mcule MCULE-9716349057
MolPort MolPort-019-857-540
Nikkaji J498.236C J2.305.056K
PDBe BM0
PubChem 2734162
PubChem: Thomson Pharma 16725235 16615615
SureChEMBL SCHEMBL34968
ZINC ZINC000015783059

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