[5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane

C20H30GeN+ — CID 166010912

IUPAC[5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane
SMILES[2H]C([2H])([2H])c1ccc(-c2c([Ge](C)(C)C)cc(C([2H])(C)C)c[n+]2C)c(C)c1
InChIInChI=1S/C20H30GeN/c1-14(2)17-12-19(21(5,6)7)20(22(8)13-17)18-10-9-15(3)11-16(18)4/h9-14H,1-8H3/q+1/i3D3,14D
InChIKeyHOYOAJBRCDXLPR-AFUAERCCSA-N
MW361.10 g/mol
LogP4.46
Rot. Bonds4

About [5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane

[5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane (PubChem CID 166010912) has the molecular formula C20H30GeN+ and a molecular weight of 361.10 g/mol. Its IUPAC name is [5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane.

Molecular Properties

Compound Name[5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane
PubChem CID166010912
Molecular FormulaC20H30GeN+
Molecular Weight361.10 g/mol
Exact Mass362.18
IUPAC Name[5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane
SMILES[2H]C([2H])([2H])c1ccc(-c2c([Ge](C)(C)C)cc(C([2H])(C)C)c[n+]2C)c(C)c1
InChIInChI=1S/C20H30GeN/c1-14(2)17-12-19(21(5,6)7)20(22(8)13-17)18-10-9-15(3)11-16(18)4/h9-14H,1-8H3/q+1/i3D3,14D
InChIKeyHOYOAJBRCDXLPR-AFUAERCCSA-N
XLogP4.46
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.10
LogP ≤ 54.46
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-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 155773460
1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 140677194
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;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 161382763
2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium
CID 18737956
5-(2-deuteriopropan-2-yl)-2-[4-(2-deuteriopropan-2-yl)-2-methylphenyl]-1-methylpyridin-1-ium;5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-[4-(2-deuteriopropan-2-yl)-2-methylphenyl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium
CID 159433528
5-(2-deuteriopropan-2-yl)-2-[4-(2-deuteriopropan-2-yl)-2-methylphenyl]-1-methylpyridin-1-ium;5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterioethyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;methane;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 159401116
1,3-dimethyl-2-[2-methyl-4-(2,2,2-trideuterioethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 157406942
1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 167346400
trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane
CID 166010836
5-(1,1-dideuterioethyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-4-(1,1,2,2,2-pentadeuterioethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium
CID 157086075
2-[4-(2-deuteriopropan-2-yl)-2-methylphenyl]-1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(1,1,2,2,2-pentadeuterioethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 159790162
1,4-dimethyl-2-[2-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(2,2,2-trideuterioethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,4-dimethyl-2-[2-methyl-4-(2,2,2-trideuterioethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-[4-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-2-methylphenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium
CID 159985733

Frequently Asked Questions

What is the IUPAC name of [5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane?
The IUPAC name of [5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane (CID 166010912) is [5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane.
What is the SMILES notation for [5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane?
The canonical SMILES for [5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane is [2H]C([2H])([2H])c1ccc(-c2c([Ge](C)(C)C)cc(C([2H])(C)C)c[n+]2C)c(C)c1.
What is the InChIKey of [5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane?
The InChIKey is HOYOAJBRCDXLPR-AFUAERCCSA-N. The full InChI is InChI=1S/C20H30GeN/c1-14(2)17-12-19(21(5,6)7)20(22(8)13-17)18-10-9-15(3)11-16(18)4/h9-14H,1-8H3/q+1/i3D3,14D.
What are the key properties of [5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane?
[5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane has a molecular weight of 361.10 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane is sourced from PubChem (CID 166010912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).