trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane

C23H36GeN+ — CID 159056886

IUPACtrimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane
SMILESCc1cc(CC(C)C)ccc1-c1cc(C(C)C)c([Ge](C)(C)C)c[n+]1C
InChIInChI=1S/C23H36GeN/c1-16(2)12-19-10-11-20(18(5)13-19)23-14-21(17(3)4)22(15-25(23)9)24(6,7)8/h10-11,13-17H,12H2,1-9H3/q+1
InChIKeyCHYNAWZMLSJMGC-UHFFFAOYSA-N
MW399.16 g/mol
LogP5.35
Rot. Bonds5

About trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane

trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane (PubChem CID 159056886) has the molecular formula C23H36GeN+ and a molecular weight of 399.16 g/mol. Its IUPAC name is trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane.

Molecular Properties

Compound Nametrimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane
PubChem CID159056886
Molecular FormulaC23H36GeN+
Molecular Weight399.16 g/mol
Exact Mass400.21
IUPAC Nametrimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane
SMILESCc1cc(CC(C)C)ccc1-c1cc(C(C)C)c([Ge](C)(C)C)c[n+]1C
InChIInChI=1S/C23H36GeN/c1-16(2)12-19-10-11-20(18(5)13-19)23-14-21(17(3)4)22(15-25(23)9)24(6,7)8/h10-11,13-17H,12H2,1-9H3/q+1
InChIKeyCHYNAWZMLSJMGC-UHFFFAOYSA-N
XLogP5.35
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.16
LogP ≤ 55.35
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

trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]silane
CID 158976936
[6-(2,5-dimethylphenyl)-1-methyl-4-propan-2-ylpyridin-1-ium-3-yl]-trimethylgermane
CID 157253376
2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
CID 123587702
[4-(2-deuteriopropan-2-yl)-6-(4-fluoro-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane
CID 166010859
4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium
CID 160661708
[2-(4-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylgermane
CID 157263420
[4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 159368810
1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium
CID 123682313
[6-(4-fluoro-2-methylphenyl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane
CID 172534850
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-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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane?
The IUPAC name of trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane (CID 159056886) is trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane.
What is the SMILES notation for trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane?
The canonical SMILES for trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane is Cc1cc(CC(C)C)ccc1-c1cc(C(C)C)c([Ge](C)(C)C)c[n+]1C.
What is the InChIKey of trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane?
The InChIKey is CHYNAWZMLSJMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36GeN/c1-16(2)12-19-10-11-20(18(5)13-19)23-14-21(17(3)4)22(15-25(23)9)24(6,7)8/h10-11,13-17H,12H2,1-9H3/q+1.
What are the key properties of trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane?
trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane has a molecular weight of 399.16 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane is sourced from PubChem (CID 159056886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).