[2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane

C25H38GeN+ — CID 160731296

IUPAC[2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane
SMILESCc1ccc(C(C)(C)C)cc1-c1cc([Ge](C)(C)C)c(C2CCCC2)c[n+]1C
InChIInChI=1S/C25H38GeN/c1-18-13-14-20(25(2,3)4)15-21(18)24-16-23(26(5,6)7)22(17-27(24)8)19-11-9-10-12-19/h13-17,19H,9-12H2,1-8H3/q+1
InChIKeyBGUKEYKZNPRKCJ-UHFFFAOYSA-N
MW425.20 g/mol
LogP5.99
Rot. Bonds3

About [2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane

[2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane (PubChem CID 160731296) has the molecular formula C25H38GeN+ and a molecular weight of 425.20 g/mol. Its IUPAC name is [2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane.

Molecular Properties

Compound Name[2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane
PubChem CID160731296
Molecular FormulaC25H38GeN+
Molecular Weight425.20 g/mol
Exact Mass426.22
IUPAC Name[2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane
SMILESCc1ccc(C(C)(C)C)cc1-c1cc([Ge](C)(C)C)c(C2CCCC2)c[n+]1C
InChIInChI=1S/C25H38GeN/c1-18-13-14-20(25(2,3)4)15-21(18)24-16-23(26(5,6)7)22(17-27(24)8)19-11-9-10-12-19/h13-17,19H,9-12H2,1-8H3/q+1
InChIKeyBGUKEYKZNPRKCJ-UHFFFAOYSA-N
XLogP5.99
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.20
LogP ≤ 55.99
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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Related Compounds

5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-4-cyclohexyl-1-methylpyridin-1-ium
CID 167358217
2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium
CID 167365538
[5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane
CID 159317018
2-(4-tert-butyl-2-methylphenyl)-5-(2-cyclopentylpropan-2-yl)-1,4-dimethylpyridin-1-ium
CID 167357583
5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365718
[4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane
CID 157377199
[2-(4-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylgermane
CID 157263420
4-(6-tert-butylnaphthalen-2-yl)-5-cyclohexyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclohexyl-4-(6-cyclohexylnaphthalen-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclohexyl-4-(6-cyclopentylnaphthalen-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclohexyl-1-methyl-2-(2-methylphenyl)-4-(6-propan-2-ylnaphthalen-2-yl)pyridin-1-ium
CID 160761365
2-(4-tert-butyl-2-methylphenyl)-5-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium
CID 167358193
5-tert-butyl-1-methyl-2-(3-methyl-5,6,7,8,8a,9,10,10a-octahydroanthracen-2-yl)pyridin-1-ium
CID 177074928
5-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methylpyridin-1-ium
CID 172534721
2-(5-tert-butyl-2-methylphenyl)-4-(3-deuterio-2,4-dimethylpentan-3-yl)-1-methylpyridin-1-ium
CID 167365541

Frequently Asked Questions

What is the IUPAC name of [2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane?
The IUPAC name of [2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane (CID 160731296) is [2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane.
What is the SMILES notation for [2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane?
The canonical SMILES for [2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane is Cc1ccc(C(C)(C)C)cc1-c1cc([Ge](C)(C)C)c(C2CCCC2)c[n+]1C.
What is the InChIKey of [2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane?
The InChIKey is BGUKEYKZNPRKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38GeN/c1-18-13-14-20(25(2,3)4)15-21(18)24-16-23(26(5,6)7)22(17-27(24)8)19-11-9-10-12-19/h13-17,19H,9-12H2,1-8H3/q+1.
What are the key properties of [2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane?
[2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane has a molecular weight of 425.20 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane is sourced from PubChem (CID 160731296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).