1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide

C18H24INSi — CID 153452521

IUPAC1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide
SMILESC[N+]1(C)CC[Si](c2ccccc2)(c2ccccc2)CC1.[I-]
InChIInChI=1S/C18H24NSi.HI/c1-19(2)13-15-20(16-14-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12H,13-16H2,1-2H3;1H/q+1;/p-1
InChIKeyAQZQKGPAJZYNSV-UHFFFAOYSA-M
MW409.39 g/mol
LogP-0.66
Rot. Bonds2

About 1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide

1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide (PubChem CID 153452521) has the molecular formula C18H24INSi and a molecular weight of 409.39 g/mol. Its IUPAC name is 1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide.

Molecular Properties

Compound Name1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide
PubChem CID153452521
Molecular FormulaC18H24INSi
Molecular Weight409.39 g/mol
Exact Mass409.07
IUPAC Name1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide
SMILESC[N+]1(C)CC[Si](c2ccccc2)(c2ccccc2)CC1.[I-]
InChIInChI=1S/C18H24NSi.HI/c1-19(2)13-15-20(16-14-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12H,13-16H2,1-2H3;1H/q+1;/p-1
InChIKeyAQZQKGPAJZYNSV-UHFFFAOYSA-M
XLogP-0.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 5-0.66
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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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide?
The IUPAC name of 1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide (CID 153452521) is 1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide.
What is the SMILES notation for 1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide?
The canonical SMILES for 1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide is C[N+]1(C)CC[Si](c2ccccc2)(c2ccccc2)CC1.[I-].
What is the InChIKey of 1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide?
The InChIKey is AQZQKGPAJZYNSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H24NSi.HI/c1-19(2)13-15-20(16-14-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12H,13-16H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide?
1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide has a molecular weight of 409.39 g/mol, XLogP of -0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide is sourced from PubChem (CID 153452521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).