5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium

C20H26N+ — CID 156621814

IUPAC5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
SMILESCc1ccc(-c2ccc(C3CCCCC3)c[n+]2C)c(C)c1
InChIInChI=1S/C20H26N/c1-15-9-11-19(16(2)13-15)20-12-10-18(14-21(20)3)17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3/q+1
InChIKeyCDFVOOQBLYJREC-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.84
Rot. Bonds2

About 5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium

5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium (PubChem CID 156621814) has the molecular formula C20H26N+ and a molecular weight of 280.44 g/mol. Its IUPAC name is 5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
PubChem CID156621814
Molecular FormulaC20H26N+
Molecular Weight280.44 g/mol
Exact Mass280.21
IUPAC Name5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
SMILESCc1ccc(-c2ccc(C3CCCCC3)c[n+]2C)c(C)c1
InChIInChI=1S/C20H26N/c1-15-9-11-19(16(2)13-15)20-12-10-18(14-21(20)3)17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3/q+1
InChIKeyCDFVOOQBLYJREC-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 5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium?
The IUPAC name of 5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium (CID 156621814) is 5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium.
What is the SMILES notation for 5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium?
The canonical SMILES for 5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium is Cc1ccc(-c2ccc(C3CCCCC3)c[n+]2C)c(C)c1.
What is the InChIKey of 5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium?
The InChIKey is CDFVOOQBLYJREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N/c1-15-9-11-19(16(2)13-15)20-12-10-18(14-21(20)3)17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3/q+1.
What are the key properties of 5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium?
5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-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 5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium is sourced from PubChem (CID 156621814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).