2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium

C19H26N+ — CID 123587702

IUPAC2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
SMILESCCc1ccc(-c2cc(C)c(C(C)C)c[n+]2C)c(C)c1
InChIInChI=1S/C19H26N/c1-7-16-8-9-17(14(4)10-16)19-11-15(5)18(13(2)3)12-20(19)6/h8-13H,7H2,1-6H3/q+1
InChIKeyYGZPWHDFNQDGIC-UHFFFAOYSA-N
MW268.42 g/mol
LogP4.48
Rot. Bonds3

About 2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium

2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium (PubChem CID 123587702) has the molecular formula C19H26N+ and a molecular weight of 268.42 g/mol. Its IUPAC name is 2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium.

Molecular Properties

Compound Name2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
PubChem CID123587702
Molecular FormulaC19H26N+
Molecular Weight268.42 g/mol
Exact Mass268.21
IUPAC Name2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
SMILESCCc1ccc(-c2cc(C)c(C(C)C)c[n+]2C)c(C)c1
InChIInChI=1S/C19H26N/c1-7-16-8-9-17(14(4)10-16)19-11-15(5)18(13(2)3)12-20(19)6/h8-13H,7H2,1-6H3/q+1
InChIKeyYGZPWHDFNQDGIC-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
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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Related Compounds

7-ethyl-3-(4-ethyl-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 170405523
trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane
CID 159056886
2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
CID 140920683
trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]silane
CID 158976936
2-(4-ethyl-2-methylphenyl)-1-methyl-4-phenylpyridin-1-ium
CID 123231632
[2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane
CID 160741756
3-(5-ethyl-2-methylphenyl)-2-methyl-7-propan-2-ylisoquinolin-2-ium
CID 170405508
4,5-bis(2-deuteriopropan-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4,5-di(propan-2-yl)pyridin-1-ium
CID 158409899
6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium
CID 170527695
4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium
CID 157088758
2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium
CID 153461119
4-tert-butyl-1-methyl-2-(2-methylphenyl)-5-propan-2-ylpyridin-1-ium
CID 164727662

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium?
The IUPAC name of 2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium (CID 123587702) is 2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium.
What is the SMILES notation for 2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium?
The canonical SMILES for 2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium is CCc1ccc(-c2cc(C)c(C(C)C)c[n+]2C)c(C)c1.
What is the InChIKey of 2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium?
The InChIKey is YGZPWHDFNQDGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N/c1-7-16-8-9-17(14(4)10-16)19-11-15(5)18(13(2)3)12-20(19)6/h8-13H,7H2,1-6H3/q+1.
What are the key properties of 2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium?
2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium has a molecular weight of 268.42 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium is sourced from PubChem (CID 123587702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).