trimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide

C13H22INSi — CID 11725224

IUPACtrimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide
SMILESC[N+]1(C[Si](C)(C)C)Cc2ccccc2C1.[I-]
InChIInChI=1S/C13H22NSi.HI/c1-14(11-15(2,3)4)9-12-7-5-6-8-13(12)10-14;/h5-8H,9-11H2,1-4H3;1H/q+1;/p-1
InChIKeyASXQCWVBKJHZRY-UHFFFAOYSA-M
MW347.32 g/mol
LogP0.03
Rot. Bonds2

About trimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide

trimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide (PubChem CID 11725224) has the molecular formula C13H22INSi and a molecular weight of 347.32 g/mol. Its IUPAC name is trimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide.

Molecular Properties

Compound Nametrimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide
PubChem CID11725224
Molecular FormulaC13H22INSi
Molecular Weight347.32 g/mol
Exact Mass347.06
IUPAC Nametrimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide
SMILESC[N+]1(C[Si](C)(C)C)Cc2ccccc2C1.[I-]
InChIInChI=1S/C13H22NSi.HI/c1-14(11-15(2,3)4)9-12-7-5-6-8-13(12)10-14;/h5-8H,9-11H2,1-4H3;1H/q+1;/p-1
InChIKeyASXQCWVBKJHZRY-UHFFFAOYSA-M
XLogP0.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane
CID 10067134
2-benzyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium iodide
CID 13211620
trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane
CID 10387574
trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide
CID 10029159
[(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide
CID 10479067
diethyl-methyl-[2-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethyl]azanium diiodide
CID 22755
[(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane
CID 10249736
2-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium iodide
CID 71408967
2-methyl-2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-2-ium bromide
CID 135051106
2-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-ium
CID 59643904
N-Methyl-N-(2-methyldiphenylsiloxyethyl)-1,2,3,4-tetrahydroisoquinolinium iodide
CID 139239056
trimethyl-[[methyl(phenoxy)silyl]methyl]silane
CID 59357484

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide?
The IUPAC name of trimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide (CID 11725224) is trimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide.
What is the SMILES notation for trimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide?
The canonical SMILES for trimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide is C[N+]1(C[Si](C)(C)C)Cc2ccccc2C1.[I-].
What is the InChIKey of trimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide?
The InChIKey is ASXQCWVBKJHZRY-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H22NSi.HI/c1-14(11-15(2,3)4)9-12-7-5-6-8-13(12)10-14;/h5-8H,9-11H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide?
trimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide has a molecular weight of 347.32 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide is sourced from PubChem (CID 11725224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).