N-Methyl-N-(2-methyldiphenylsiloxyethyl)-1,2,3,4-tetrahydroisoquinolinium iodide

C25H29INOSi — CID 139239056

IUPAC—
SMILESCC(C[N+]1(C)CCc2ccccc2C1)O[Si](c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C25H29NOSi.HI/c1-21(19-26(2)18-17-22-11-9-10-12-23(22)20-26)27-28(24-13-5-3-6-14-24)25-15-7-4-8-16-25;/h3-16,21H,17-20H2,1-2H3;1H/q+1;/p-1
InChIKeyBMQAXVSGGFSXIH-UHFFFAOYSA-M
MW514.50 g/mol
LogP0.40
Rot. Bonds6

About N-Methyl-N-(2-methyldiphenylsiloxyethyl)-1,2,3,4-tetrahydroisoquinolinium iodide

N-Methyl-N-(2-methyldiphenylsiloxyethyl)-1,2,3,4-tetrahydroisoquinolinium iodide (PubChem CID 139239056) has the molecular formula C25H29INOSi and a molecular weight of 514.50 g/mol.

Molecular Properties

Compound NameN-Methyl-N-(2-methyldiphenylsiloxyethyl)-1,2,3,4-tetrahydroisoquinolinium iodide
PubChem CID139239056
Molecular FormulaC25H29INOSi
Molecular Weight514.50 g/mol
Exact Mass514.11
IUPAC Name—
SMILESCC(C[N+]1(C)CCc2ccccc2C1)O[Si](c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C25H29NOSi.HI/c1-21(19-26(2)18-17-22-11-9-10-12-23(22)20-26)27-28(24-13-5-3-6-14-24)25-15-7-4-8-16-25;/h3-16,21H,17-20H2,1-2H3;1H/q+1;/p-1
InChIKeyBMQAXVSGGFSXIH-UHFFFAOYSA-M
XLogP0.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.50
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of N-Methyl-N-(2-methyldiphenylsiloxyethyl)-1,2,3,4-tetrahydroisoquinolinium iodide?
The IUPAC name of N-Methyl-N-(2-methyldiphenylsiloxyethyl)-1,2,3,4-tetrahydroisoquinolinium iodide (CID 139239056) is not available.
What is the SMILES notation for N-Methyl-N-(2-methyldiphenylsiloxyethyl)-1,2,3,4-tetrahydroisoquinolinium iodide?
The canonical SMILES for N-Methyl-N-(2-methyldiphenylsiloxyethyl)-1,2,3,4-tetrahydroisoquinolinium iodide is CC(C[N+]1(C)CCc2ccccc2C1)O[Si](c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of N-Methyl-N-(2-methyldiphenylsiloxyethyl)-1,2,3,4-tetrahydroisoquinolinium iodide?
The InChIKey is BMQAXVSGGFSXIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H29NOSi.HI/c1-21(19-26(2)18-17-22-11-9-10-12-23(22)20-26)27-28(24-13-5-3-6-14-24)25-15-7-4-8-16-25;/h3-16,21H,17-20H2,1-2H3;1H/q+1;/p-1.
What are the key properties of N-Methyl-N-(2-methyldiphenylsiloxyethyl)-1,2,3,4-tetrahydroisoquinolinium iodide?
N-Methyl-N-(2-methyldiphenylsiloxyethyl)-1,2,3,4-tetrahydroisoquinolinium iodide has a molecular weight of 514.50 g/mol, XLogP of 0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-Methyl-N-(2-methyldiphenylsiloxyethyl)-1,2,3,4-tetrahydroisoquinolinium iodide is sourced from PubChem (CID 139239056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).