[4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane

C24H38GeN+ — CID 158336856

IUPAC[4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane
SMILESCc1cc(C(C)C)ccc1-c1cc(CC(C)(C)C)c([Ge](C)(C)C)c[n+]1C
InChIInChI=1S/C24H38GeN/c1-17(2)19-11-12-21(18(3)13-19)23-14-20(15-24(4,5)6)22(16-26(23)10)25(7,8)9/h11-14,16-17H,15H2,1-10H3/q+1
InChIKeyIFSFJRBJWITSGR-UHFFFAOYSA-N
MW413.19 g/mol
LogP5.74
Rot. Bonds4

About [4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane

[4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane (PubChem CID 158336856) has the molecular formula C24H38GeN+ and a molecular weight of 413.19 g/mol. Its IUPAC name is [4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane.

Molecular Properties

Compound Name[4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane
PubChem CID158336856
Molecular FormulaC24H38GeN+
Molecular Weight413.19 g/mol
Exact Mass414.22
IUPAC Name[4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane
SMILESCc1cc(C(C)C)ccc1-c1cc(CC(C)(C)C)c([Ge](C)(C)C)c[n+]1C
InChIInChI=1S/C24H38GeN/c1-17(2)19-11-12-21(18(3)13-19)23-14-20(15-24(4,5)6)22(16-26(23)10)25(7,8)9/h11-14,16-17H,15H2,1-10H3/q+1
InChIKeyIFSFJRBJWITSGR-UHFFFAOYSA-N
XLogP5.74
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.19
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylgermane
CID 157263420
trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane
CID 159056886
2-(4-tert-butyl-2-methylphenyl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 159726150
[6-[4-(2-deuteriopropan-2-yl)-2-methylphenyl]-4-[dideuterio(trimethylsilyl)methyl]-1-methylpyridin-1-ium-3-yl]-trimethylsilane
CID 168730801
[5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane
CID 159317018
4,5-bis(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-4,5-bis(2,2-dimethylpropyl)-1-methylpyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium
CID 162239212
[4-(2-deuteriopropan-2-yl)-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane
CID 166010859
[6-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(2,4-dimethylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-1-methyl-6-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 158357389
[4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane;[4-tert-butyl-6-(2,4-dimethylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane;[4-tert-butyl-1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane;[4-tert-butyl-1-methyl-6-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane
CID 159208889
2-(4-butan-2-yl-2-methylphenyl)-1,5-dimethylpyridin-1-ium;2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium;1,5-dimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium
CID 158801824
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
4-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium
CID 167358284

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane?
The IUPAC name of [4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane (CID 158336856) is [4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane.
What is the SMILES notation for [4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane?
The canonical SMILES for [4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane is Cc1cc(C(C)C)ccc1-c1cc(CC(C)(C)C)c([Ge](C)(C)C)c[n+]1C.
What is the InChIKey of [4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane?
The InChIKey is IFSFJRBJWITSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38GeN/c1-17(2)19-11-12-21(18(3)13-19)23-14-20(15-24(4,5)6)22(16-26(23)10)25(7,8)9/h11-14,16-17H,15H2,1-10H3/q+1.
What are the key properties of [4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane?
[4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane has a molecular weight of 413.19 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethylpropyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane is sourced from PubChem (CID 158336856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).