1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium

C19H26N+ — CID 123682313

IUPAC1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium
SMILESCc1cc(CC(C)C)ccc1-c1ccc(C)c(C)[n+]1C
InChIInChI=1S/C19H26N/c1-13(2)11-17-8-9-18(15(4)12-17)19-10-7-14(3)16(5)20(19)6/h7-10,12-13H,11H2,1-6H3/q+1
InChIKeyVCROKVKOZPWBMZ-UHFFFAOYSA-N
MW268.42 g/mol
LogP4.30
Rot. Bonds3

About 1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium

1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium (PubChem CID 123682313) has the molecular formula C19H26N+ and a molecular weight of 268.42 g/mol. Its IUPAC name is 1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium.

Molecular Properties

Compound Name1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium
PubChem CID123682313
Molecular FormulaC19H26N+
Molecular Weight268.42 g/mol
Exact Mass268.21
IUPAC Name1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium
SMILESCc1cc(CC(C)C)ccc1-c1ccc(C)c(C)[n+]1C
InChIInChI=1S/C19H26N/c1-13(2)11-17-8-9-18(15(4)12-17)19-10-7-14(3)16(5)20(19)6/h7-10,12-13H,11H2,1-6H3/q+1
InChIKeyVCROKVKOZPWBMZ-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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Related Compounds

1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium
CID 160661708
trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane
CID 159056886
1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium
CID 164777978
trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]silane
CID 158976936
1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene
CID 163668395
1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-4-(2-methylpropyl)pyridin-1-ium
CID 158625991
[4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 159368810
trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane
CID 158022992
2-[2,5-dimethyl-3-(trideuteriomethyl)phenyl]-1-methyl-7-(2-methylpropyl)quinolin-1-ium
CID 159255688
2-(5-cyclopentyl-2-methylphenyl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium
CID 140920841
2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 159667026

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium?
The IUPAC name of 1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium (CID 123682313) is 1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium.
What is the SMILES notation for 1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium?
The canonical SMILES for 1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium is Cc1cc(CC(C)C)ccc1-c1ccc(C)c(C)[n+]1C.
What is the InChIKey of 1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium?
The InChIKey is VCROKVKOZPWBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N/c1-13(2)11-17-8-9-18(15(4)12-17)19-10-7-14(3)16(5)20(19)6/h7-10,12-13H,11H2,1-6H3/q+1.
What are the key properties of 1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium?
1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]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 1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium is sourced from PubChem (CID 123682313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).