1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium

C18H24N+ — CID 164777978

IUPAC1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium
SMILESCc1ccccc1-c1ccc(C)c(CC(C)C)[n+]1C
InChIInChI=1S/C18H24N/c1-13(2)12-18-15(4)10-11-17(19(18)5)16-9-7-6-8-14(16)3/h6-11,13H,12H2,1-5H3/q+1
InChIKeyFTJIAMAJXWBQMK-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.99
Rot. Bonds3

About 1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium

1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium (PubChem CID 164777978) has the molecular formula C18H24N+ and a molecular weight of 254.40 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium.

Molecular Properties

Compound Name1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium
PubChem CID164777978
Molecular FormulaC18H24N+
Molecular Weight254.40 g/mol
Exact Mass254.19
IUPAC Name1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium
SMILESCc1ccccc1-c1ccc(C)c(CC(C)C)[n+]1C
InChIInChI=1S/C18H24N/c1-13(2)12-18-15(4)10-11-17(19(18)5)16-9-7-6-8-14(16)3/h6-11,13H,12H2,1-5H3/q+1
InChIKeyFTJIAMAJXWBQMK-UHFFFAOYSA-N
XLogP3.99
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.99
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 1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium?
The IUPAC name of 1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium (CID 164777978) is 1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium.
What is the SMILES notation for 1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium?
The canonical SMILES for 1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium is Cc1ccccc1-c1ccc(C)c(CC(C)C)[n+]1C.
What is the InChIKey of 1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium?
The InChIKey is FTJIAMAJXWBQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N/c1-13(2)12-18-15(4)10-11-17(19(18)5)16-9-7-6-8-14(16)3/h6-11,13H,12H2,1-5H3/q+1.
What are the key properties of 1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium?
1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium has a molecular weight of 254.40 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium is sourced from PubChem (CID 164777978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).