3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium

C22H52N2O2Si+2 — CID 18779947

IUPAC3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium
SMILESCCC[N+](CC)(CC)CCC[Si](CCC[N+](CC)(CC)CCC)(OC)OC
InChIInChI=1S/C22H52N2O2Si/c1-9-17-23(11-3,12-4)19-15-21-27(25-7,26-8)22-16-20-24(13-5,14-6)18-10-2/h9-22H2,1-8H3/q+2
InChIKeyDQBWLACKTQKJCK-UHFFFAOYSA-N
MW404.76 g/mol
LogP5.03
Rot. Bonds18

About 3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium

3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium (PubChem CID 18779947) has the molecular formula C22H52N2O2Si+2 and a molecular weight of 404.76 g/mol. Its IUPAC name is 3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium.

Molecular Properties

Compound Name3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium
PubChem CID18779947
Molecular FormulaC22H52N2O2Si+2
Molecular Weight404.76 g/mol
Exact Mass404.38
IUPAC Name3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium
SMILESCCC[N+](CC)(CC)CCC[Si](CCC[N+](CC)(CC)CCC)(OC)OC
InChIInChI=1S/C22H52N2O2Si/c1-9-17-23(11-3,12-4)19-15-21-27(25-7,26-8)22-16-20-24(13-5,14-6)18-10-2/h9-22H2,1-8H3/q+2
InChIKeyDQBWLACKTQKJCK-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.76
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride
CID 153332898
dimethoxy-nonadecyl-nonylsilane
CID 139614040
dimethoxy-octyl-pentylsilane
CID 139614094
hexyl-dimethoxy-nonadecylsilane
CID 139614220
dimethoxy-pentadecyl-undecylsilane
CID 139614261
hexyl-dimethoxy-undecylsilane
CID 139614316
dimethoxy-nonyl-tridecylsilane
CID 139614257
8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane
CID 87498284
dimethoxy-nonadecyl-pentadecylsilane
CID 139614324
heptyl-dimethoxy-undecylsilane
CID 139614038
hexadecyl-icosyl-dimethoxysilane
CID 139614225
butyl-decyl-dimethoxysilane
CID 141135588

Frequently Asked Questions

What is the IUPAC name of 3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium?
The IUPAC name of 3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium (CID 18779947) is 3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium.
What is the SMILES notation for 3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium?
The canonical SMILES for 3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium is CCC[N+](CC)(CC)CCC[Si](CCC[N+](CC)(CC)CCC)(OC)OC.
What is the InChIKey of 3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium?
The InChIKey is DQBWLACKTQKJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H52N2O2Si/c1-9-17-23(11-3,12-4)19-15-21-27(25-7,26-8)22-16-20-24(13-5,14-6)18-10-2/h9-22H2,1-8H3/q+2.
What are the key properties of 3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium?
3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium has a molecular weight of 404.76 g/mol, XLogP of 5.03, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium is sourced from PubChem (CID 18779947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).