3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium

C20H26N+ — CID 140881300

IUPAC3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1cc(C2CCCCC2)c(-c2ccccc2C)[n+](C)c1
InChIInChI=1S/C20H26N/c1-15-13-19(17-10-5-4-6-11-17)20(21(3)14-15)18-12-8-7-9-16(18)2/h7-9,12-14,17H,4-6,10-11H2,1-3H3/q+1
InChIKeyPELYZTCFTYOBPM-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.84
Rot. Bonds2

About 3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium

3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 140881300) has the molecular formula C20H26N+ and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
PubChem CID140881300
Molecular FormulaC20H26N+
Molecular Weight280.44 g/mol
Exact Mass280.21
IUPAC Name3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1cc(C2CCCCC2)c(-c2ccccc2C)[n+](C)c1
InChIInChI=1S/C20H26N/c1-15-13-19(17-10-5-4-6-11-17)20(21(3)14-15)18-12-8-7-9-16(18)2/h7-9,12-14,17H,4-6,10-11H2,1-3H3/q+1
InChIKeyPELYZTCFTYOBPM-UHFFFAOYSA-N
XLogP4.84
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
The IUPAC name of 3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium (CID 140881300) is 3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
The canonical SMILES for 3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium is Cc1cc(C2CCCCC2)c(-c2ccccc2C)[n+](C)c1.
What is the InChIKey of 3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
The InChIKey is PELYZTCFTYOBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N/c1-15-13-19(17-10-5-4-6-11-17)20(21(3)14-15)18-12-8-7-9-16(18)2/h7-9,12-14,17H,4-6,10-11H2,1-3H3/q+1.
What are the key properties of 3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 280.44 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 140881300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).