4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium

C18H24N+ — CID 157088758

IUPAC4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium
SMILES[2H]C([2H])([2H])C([2H])(C)c1c[n+](C)c(-c2ccccc2C)cc1CC
InChIInChI=1S/C18H24N/c1-6-15-11-18(16-10-8-7-9-14(16)4)19(5)12-17(15)13(2)3/h7-13H,6H2,1-5H3/q+1/i2D3,13D
InChIKeyPJQXFUMHJZGQGP-JIBPXCTFSA-N
MW258.42 g/mol
LogP4.17
Rot. Bonds4

About 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium

4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium (PubChem CID 157088758) has the molecular formula C18H24N+ and a molecular weight of 258.42 g/mol. Its IUPAC name is 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium
PubChem CID157088758
Molecular FormulaC18H24N+
Molecular Weight258.42 g/mol
Exact Mass258.22
IUPAC Name4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium
SMILES[2H]C([2H])([2H])C([2H])(C)c1c[n+](C)c(-c2ccccc2C)cc1CC
InChIInChI=1S/C18H24N/c1-6-15-11-18(16-10-8-7-9-14(16)4)19(5)12-17(15)13(2)3/h7-13H,6H2,1-5H3/q+1/i2D3,13D
InChIKeyPJQXFUMHJZGQGP-JIBPXCTFSA-N
XLogP4.17
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 54.17
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

5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(2-deuteriopropan-2-yl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;5-ethyl-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 160557022
4-(2-deuteriopropan-2-yl)-5-ethyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-3,5-bis(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium
CID 158309852
4,5-bis(2-deuteriopropan-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140878082
5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(2-deuteriopropan-2-yl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 161072099
5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-2-(2-methylphenyl)-4-propan-2-ylsulfanylpyridin-1-ium
CID 176724383
4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium
CID 123730706
5-ethyl-1-methyl-2-(2-methylphenyl)-4-(trideuteriomethyl)pyridin-1-ium
CID 164823798
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
5-cyclopentyl-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;5-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;methane;1-methyl-2-(2-methylphenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridin-1-ium
CID 162260454
5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 157161414
4-tert-butyl-1-methyl-2-(2-methylphenyl)-5-propan-2-ylpyridin-1-ium
CID 164727662
1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium
CID 157295818

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium?
The IUPAC name of 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium (CID 157088758) is 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium.
What is the SMILES notation for 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium?
The canonical SMILES for 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium is [2H]C([2H])([2H])C([2H])(C)c1c[n+](C)c(-c2ccccc2C)cc1CC.
What is the InChIKey of 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium?
The InChIKey is PJQXFUMHJZGQGP-JIBPXCTFSA-N. The full InChI is InChI=1S/C18H24N/c1-6-15-11-18(16-10-8-7-9-14(16)4)19(5)12-17(15)13(2)3/h7-13H,6H2,1-5H3/q+1/i2D3,13D.
What are the key properties of 4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium?
4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium has a molecular weight of 258.42 g/mol, XLogP of 4.17, 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-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium is sourced from PubChem (CID 157088758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).