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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3183641
CHEMBL3183641
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H23N3

Additional synonyms for CHEMBL3183641 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCN(C)CCN(C)C
Standard InChI InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3
Standard InChI Key UKODFQOELJFMII-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3183641

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
173.3 173.1892 0.04 6 9.72 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.84 -.19 -2.31 0 12 0.56

Structural Alerts

There are 1 structural alerts for CHEMBL3183641. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UKODFQOELJFMII-UHFFFAOYSA-N
PubChem SID: 144207879

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3183641



ACToR 106494-67-1 3030-47-5
ChEBI 39475
ChemicalBook CB2162535
eMolecules 501819
EPA CompTox Dashboard DTXSID7029249
FDA SRS 3274UTY3HL
IBM Patent System FD26D9DA53E8721E9719B48D0CC969FE
Mcule MCULE-7227243002
MolPort MolPort-003-913-752
Nikkaji J53.928G
NMRShiftDB 20201331
PubChem 18196
PubChem: Thomson Pharma 15195054
SureChEMBL SCHEMBL37515
ZINC ZINC000019366286

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