[chloro(dimethyl)silyl]methyl-tridecylazanium chloride

C16H37Cl2NSi — CID 153404341

IUPAC[chloro(dimethyl)silyl]methyl-tridecylazanium chloride
SMILESCCCCCCCCCCCCC[NH2+]C[Si](C)(C)Cl.[Cl-]
InChIInChI=1S/C16H36ClNSi.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(2,3)17;/h18H,4-16H2,1-3H3;1H
InChIKeyYFJLKJJLSVGDIZ-UHFFFAOYSA-N
MW342.47 g/mol
LogP1.85
Rot. Bonds14

About [chloro(dimethyl)silyl]methyl-tridecylazanium chloride

[chloro(dimethyl)silyl]methyl-tridecylazanium chloride (PubChem CID 153404341) has the molecular formula C16H37Cl2NSi and a molecular weight of 342.47 g/mol. Its IUPAC name is [chloro(dimethyl)silyl]methyl-tridecylazanium chloride.

Molecular Properties

Compound Name[chloro(dimethyl)silyl]methyl-tridecylazanium chloride
PubChem CID153404341
Molecular FormulaC16H37Cl2NSi
Molecular Weight342.47 g/mol
Exact Mass341.21
IUPAC Name[chloro(dimethyl)silyl]methyl-tridecylazanium chloride
SMILESCCCCCCCCCCCCC[NH2+]C[Si](C)(C)Cl.[Cl-]
InChIInChI=1S/C16H36ClNSi.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(2,3)17;/h18H,4-16H2,1-3H3;1H
InChIKeyYFJLKJJLSVGDIZ-UHFFFAOYSA-N
XLogP1.85
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl(tetradecyl)azanium chloride
CID 20788665
azanium;dioctadecylazanium;dichloride
CID 172767895
didodecylazanium fluoride
CID 87135434
butyl(dodecyl)azanium
CID 91941247
ethyl(tridecyl)azanium iodide
CID 88651524
chloro-dimethyl-nonadecylsilane
CID 87338427
dioctadecylazanium tetrafluoroborate
CID 140565722
undecane chloride
CID 19736895
dichloro-(2-methylpropyl)-octadecylsilane
CID 141127282
tert-butyl-[2-(hexylazaniumyl)ethyl]azanium
CID 7172003
carboxymethyl(octyl)azanium chloride
CID 18526697
2-hydroxyethyl(nonyl)azanium iodide
CID 175684966

Frequently Asked Questions

What is the IUPAC name of [chloro(dimethyl)silyl]methyl-tridecylazanium chloride?
The IUPAC name of [chloro(dimethyl)silyl]methyl-tridecylazanium chloride (CID 153404341) is [chloro(dimethyl)silyl]methyl-tridecylazanium chloride.
What is the SMILES notation for [chloro(dimethyl)silyl]methyl-tridecylazanium chloride?
The canonical SMILES for [chloro(dimethyl)silyl]methyl-tridecylazanium chloride is CCCCCCCCCCCCC[NH2+]C[Si](C)(C)Cl.[Cl-].
What is the InChIKey of [chloro(dimethyl)silyl]methyl-tridecylazanium chloride?
The InChIKey is YFJLKJJLSVGDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36ClNSi.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(2,3)17;/h18H,4-16H2,1-3H3;1H.
What are the key properties of [chloro(dimethyl)silyl]methyl-tridecylazanium chloride?
[chloro(dimethyl)silyl]methyl-tridecylazanium chloride has a molecular weight of 342.47 g/mol, XLogP of 1.85, 14 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(dimethyl)silyl]methyl-tridecylazanium chloride is sourced from PubChem (CID 153404341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).