benzyl-diethyl-(3-trimethoxysilylpropyl)azanium

C17H32NO3Si+ — CID 175077769

IUPACbenzyl-diethyl-(3-trimethoxysilylpropyl)azanium
SMILESCC[N+](CC)(CCC[Si](OC)(OC)OC)Cc1ccccc1
InChIInChI=1S/C17H32NO3Si/c1-6-18(7-2,16-17-12-9-8-10-13-17)14-11-15-22(19-3,20-4)21-5/h8-10,12-13H,6-7,11,14-16H2,1-5H3/q+1
InChIKeyMQTLUSIMZBECBS-UHFFFAOYSA-N
MW326.53 g/mol
LogP3.31
Rot. Bonds11

About benzyl-diethyl-(3-trimethoxysilylpropyl)azanium

benzyl-diethyl-(3-trimethoxysilylpropyl)azanium (PubChem CID 175077769) has the molecular formula C17H32NO3Si+ and a molecular weight of 326.53 g/mol. Its IUPAC name is benzyl-diethyl-(3-trimethoxysilylpropyl)azanium.

Molecular Properties

Compound Namebenzyl-diethyl-(3-trimethoxysilylpropyl)azanium
PubChem CID175077769
Molecular FormulaC17H32NO3Si+
Molecular Weight326.53 g/mol
Exact Mass326.21
IUPAC Namebenzyl-diethyl-(3-trimethoxysilylpropyl)azanium
SMILESCC[N+](CC)(CCC[Si](OC)(OC)OC)Cc1ccccc1
InChIInChI=1S/C17H32NO3Si/c1-6-18(7-2,16-17-12-9-8-10-13-17)14-11-15-22(19-3,20-4)21-5/h8-10,12-13H,6-7,11,14-16H2,1-5H3/q+1
InChIKeyMQTLUSIMZBECBS-UHFFFAOYSA-N
XLogP3.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

tribenzyl(3-trimethoxysilylpropyl)azanium
CID 132606843
benzyl-[2-[benzyl(dimethyl)azaniumyl]ethyl]-methyl-(3-trimethoxysilylpropyl)azanium
CID 164781657
benzyl-diethyl-octylazanium bromide
CID 71430300
tris(benzyl(triethyl)azanium);tribromide
CID 86596066
dibenzyl-ethyl-propylazanium
CID 130331727
azane;benzyl(triethyl)azanium;hydrofluoride
CID 174537374
azane;benzyl(triethyl)azanium;bromide;dihydrobromide
CID 172701063
benzyl-diethyl-tetradecylazanium;trimethylazanium;dichloride
CID 158505012
tribenzyl(heptadecyl)azanium
CID 87810637
benzyl(tributyl)azanium;chloride;hydrate
CID 141006059
benzyl(tributyl)azanium;bromide;hydrate
CID 156632314
benzyl-tri(tetradecyl)azanium
CID 90292155

Frequently Asked Questions

What is the IUPAC name of benzyl-diethyl-(3-trimethoxysilylpropyl)azanium?
The IUPAC name of benzyl-diethyl-(3-trimethoxysilylpropyl)azanium (CID 175077769) is benzyl-diethyl-(3-trimethoxysilylpropyl)azanium.
What is the SMILES notation for benzyl-diethyl-(3-trimethoxysilylpropyl)azanium?
The canonical SMILES for benzyl-diethyl-(3-trimethoxysilylpropyl)azanium is CC[N+](CC)(CCC[Si](OC)(OC)OC)Cc1ccccc1.
What is the InChIKey of benzyl-diethyl-(3-trimethoxysilylpropyl)azanium?
The InChIKey is MQTLUSIMZBECBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32NO3Si/c1-6-18(7-2,16-17-12-9-8-10-13-17)14-11-15-22(19-3,20-4)21-5/h8-10,12-13H,6-7,11,14-16H2,1-5H3/q+1.
What are the key properties of benzyl-diethyl-(3-trimethoxysilylpropyl)azanium?
benzyl-diethyl-(3-trimethoxysilylpropyl)azanium has a molecular weight of 326.53 g/mol, XLogP of 3.31, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-diethyl-(3-trimethoxysilylpropyl)azanium is sourced from PubChem (CID 175077769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).