4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium

C19H26N+ — CID 123730706

IUPAC4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium
SMILESCCc1cc(-c2ccccc2C)[n+](C)cc1CC(C)C
InChIInChI=1S/C19H26N/c1-6-16-12-19(18-10-8-7-9-15(18)4)20(5)13-17(16)11-14(2)3/h7-10,12-14H,6,11H2,1-5H3/q+1
InChIKeyBJSJBTKSINXBQZ-UHFFFAOYSA-N
MW268.42 g/mol
LogP4.25
Rot. Bonds4

About 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium

4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium (PubChem CID 123730706) has the molecular formula C19H26N+ and a molecular weight of 268.42 g/mol. Its IUPAC name is 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium.

Molecular Properties

Compound Name4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium
PubChem CID123730706
Molecular FormulaC19H26N+
Molecular Weight268.42 g/mol
Exact Mass268.21
IUPAC Name4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium
SMILESCCc1cc(-c2ccccc2C)[n+](C)cc1CC(C)C
InChIInChI=1S/C19H26N/c1-6-16-12-19(18-10-8-7-9-15(18)4)20(5)13-17(16)11-14(2)3/h7-10,12-14H,6,11H2,1-5H3/q+1
InChIKeyBJSJBTKSINXBQZ-UHFFFAOYSA-N
XLogP4.25
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 54.25
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 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium?
The IUPAC name of 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium (CID 123730706) is 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium.
What is the SMILES notation for 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium?
The canonical SMILES for 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium is CCc1cc(-c2ccccc2C)[n+](C)cc1CC(C)C.
What is the InChIKey of 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium?
The InChIKey is BJSJBTKSINXBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N/c1-6-16-12-19(18-10-8-7-9-15(18)4)20(5)13-17(16)11-14(2)3/h7-10,12-14H,6,11H2,1-5H3/q+1.
What are the key properties of 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium?
4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium has a molecular weight of 268.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium is sourced from PubChem (CID 123730706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).