3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium

C13H31N2O4Si+ — CID 91556508

IUPAC3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium
SMILESCO[Si](CCC[N+](C)(C)CCCNC(C)=O)(OC)OC
InChIInChI=1S/C13H30N2O4Si/c1-13(16)14-9-7-10-15(2,3)11-8-12-20(17-4,18-5)19-6/h7-12H2,1-6H3/p+1
InChIKeyAXVSRJIJGSVJSH-UHFFFAOYSA-O
MW307.49 g/mol
LogP0.86
Rot. Bonds11

About 3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium

3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium (PubChem CID 91556508) has the molecular formula C13H31N2O4Si+ and a molecular weight of 307.49 g/mol. Its IUPAC name is 3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium.

Molecular Properties

Compound Name3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium
PubChem CID91556508
Molecular FormulaC13H31N2O4Si+
Molecular Weight307.49 g/mol
Exact Mass307.20
IUPAC Name3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium
SMILESCO[Si](CCC[N+](C)(C)CCCNC(C)=O)(OC)OC
InChIInChI=1S/C13H30N2O4Si/c1-13(16)14-9-7-10-15(2,3)11-8-12-20(17-4,18-5)19-6/h7-12H2,1-6H3/p+1
InChIKeyAXVSRJIJGSVJSH-UHFFFAOYSA-O
XLogP0.86
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium
CID 54289687
dimethyl-[3-(phosphanyloxycarbonylamino)propyl]-(3-trimethoxysilylpropyl)azanium;phosphanyl N-[3-(dimethylamino)propyl]carbamate;chloride;dihydrofluoride
CID 162017392
2-acetamido-N-(3-trimethoxysilylpropyl)acetamide
CID 87064791
butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide
CID 177425552
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
N-(3-acetamidopropyl)acetamide
CID 5147555
dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride
CID 141427162
icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide
CID 164521067
bis(2-acetamidoethyl)-dimethylazanium;methyl sulfate
CID 161461580
dimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride
CID 22134284
3-trimethoxysilylpropane-1-thiol;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 169430479
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611

Frequently Asked Questions

What is the IUPAC name of 3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium?
The IUPAC name of 3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium (CID 91556508) is 3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium.
What is the SMILES notation for 3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium?
The canonical SMILES for 3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium is CO[Si](CCC[N+](C)(C)CCCNC(C)=O)(OC)OC.
What is the InChIKey of 3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium?
The InChIKey is AXVSRJIJGSVJSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H30N2O4Si/c1-13(16)14-9-7-10-15(2,3)11-8-12-20(17-4,18-5)19-6/h7-12H2,1-6H3/p+1.
What are the key properties of 3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium?
3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium has a molecular weight of 307.49 g/mol, XLogP of 0.86, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium is sourced from PubChem (CID 91556508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).