[6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane

C21H31NSi — CID 169038830

IUPAC[6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane
SMILESCc1ccc(-c2cc(C(C)C(C)C)c([Si](C)(C)C)cn2)c(C)c1
InChIInChI=1S/C21H31NSi/c1-14(2)17(5)19-12-20(22-13-21(19)23(6,7)8)18-10-9-15(3)11-16(18)4/h9-14,17H,1-8H3
InChIKeyGLSBEWVCZMYRGI-UHFFFAOYSA-N
MW325.57 g/mol
LogP5.67
Rot. Bonds4

About [6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane

[6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane (PubChem CID 169038830) has the molecular formula C21H31NSi and a molecular weight of 325.57 g/mol. Its IUPAC name is [6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane
PubChem CID169038830
Molecular FormulaC21H31NSi
Molecular Weight325.57 g/mol
Exact Mass325.22
IUPAC Name[6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane
SMILESCc1ccc(-c2cc(C(C)C(C)C)c([Si](C)(C)C)cn2)c(C)c1
InChIInChI=1S/C21H31NSi/c1-14(2)17(5)19-12-20(22-13-21(19)23(6,7)8)18-10-9-15(3)11-16(18)4/h9-14,17H,1-8H3
InChIKeyGLSBEWVCZMYRGI-UHFFFAOYSA-N
XLogP5.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.57
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[6-[3-bis(2,4,6-trimethylphenyl)boranylphenyl]-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane
CID 140738929
[4-(3,3-dimethylbutan-2-yl)-6-(4-methylphenyl)-3-pyridinyl]-trimethylsilane
CID 140739141
4-[4-(3-methylbutan-2-yl)-5-trimethylsilyl-2-pyridinyl]benzonitrile
CID 169039431
[4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane
CID 157326729
[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane
CID 155612207
[2-(2,4-dimethylphenyl)-4-pyridinyl]methanethiol
CID 58401383
2-(2,4-dimethylphenyl)-5-ethynylpyridine
CID 175646938
3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline
CID 170184396
[2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane
CID 160741756
trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 140720447
5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine
CID 116977198
[4-(2-deuteriopropan-2-yl)-6-(4-methyl-3-phenylphenyl)-3-pyridinyl]-trimethylsilane
CID 166578513

Frequently Asked Questions

What is the IUPAC name of [6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane?
The IUPAC name of [6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane (CID 169038830) is [6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane is Cc1ccc(-c2cc(C(C)C(C)C)c([Si](C)(C)C)cn2)c(C)c1.
What is the InChIKey of [6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane?
The InChIKey is GLSBEWVCZMYRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NSi/c1-14(2)17(5)19-12-20(22-13-21(19)23(6,7)8)18-10-9-15(3)11-16(18)4/h9-14,17H,1-8H3.
What are the key properties of [6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane?
[6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane has a molecular weight of 325.57 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 169038830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).