2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium

C19H26N+ — CID 153461119

IUPAC2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium
SMILESCc1ccc(-c2cc(C)c(CC(C)C)c[n+]2C)c(C)c1
InChIInChI=1S/C19H26N/c1-13(2)9-17-12-20(6)19(11-15(17)4)18-8-7-14(3)10-16(18)5/h7-8,10-13H,9H2,1-6H3/q+1
InChIKeyUQERSKMKKRYPED-UHFFFAOYSA-N
MW268.42 g/mol
LogP4.30
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium

2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium (PubChem CID 153461119) has the molecular formula C19H26N+ and a molecular weight of 268.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium
PubChem CID153461119
Molecular FormulaC19H26N+
Molecular Weight268.42 g/mol
Exact Mass268.21
IUPAC Name2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium
SMILESCc1ccc(-c2cc(C)c(CC(C)C)c[n+]2C)c(C)c1
InChIInChI=1S/C19H26N/c1-13(2)9-17-12-20(6)19(11-15(17)4)18-8-7-14(3)10-16(18)5/h7-8,10-13H,9H2,1-6H3/q+1
InChIKeyUQERSKMKKRYPED-UHFFFAOYSA-N
XLogP4.30
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 54.30
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 2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium?
The IUPAC name of 2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium (CID 153461119) is 2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium is Cc1ccc(-c2cc(C)c(CC(C)C)c[n+]2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium?
The InChIKey is UQERSKMKKRYPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N/c1-13(2)9-17-12-20(6)19(11-15(17)4)18-8-7-14(3)10-16(18)5/h7-8,10-13H,9H2,1-6H3/q+1.
What are the key properties of 2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium?
2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium has a molecular weight of 268.42 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium is sourced from PubChem (CID 153461119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).