2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine

C22H51NO8Si2 — CID 141439899

IUPAC2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine
SMILESCCO[Si](CCCOCCNCCOCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C22H51NO8Si2/c1-7-26-32(27-8-2,28-9-3)21-13-17-24-19-15-23-16-20-25-18-14-22-33(29-10-4,30-11-5)31-12-6/h23H,7-22H2,1-6H3
InChIKeyYGZNCJNOMBVYLV-UHFFFAOYSA-N
MW513.82 g/mol
LogP3.49
Rot. Bonds26

About 2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine

2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine (PubChem CID 141439899) has the molecular formula C22H51NO8Si2 and a molecular weight of 513.82 g/mol. Its IUPAC name is 2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine
PubChem CID141439899
Molecular FormulaC22H51NO8Si2
Molecular Weight513.82 g/mol
Exact Mass513.32
IUPAC Name2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine
SMILESCCO[Si](CCCOCCNCCOCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C22H51NO8Si2/c1-7-26-32(27-8-2,28-9-3)21-13-17-24-19-15-23-16-20-25-18-14-22-33(29-10-4,30-11-5)31-12-6/h23H,7-22H2,1-6H3
InChIKeyYGZNCJNOMBVYLV-UHFFFAOYSA-N
XLogP3.49
TPSA85.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine?
The IUPAC name of 2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine (CID 141439899) is 2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine?
The canonical SMILES for 2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine is CCO[Si](CCCOCCNCCOCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine?
The InChIKey is YGZNCJNOMBVYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H51NO8Si2/c1-7-26-32(27-8-2,28-9-3)21-13-17-24-19-15-23-16-20-25-18-14-22-33(29-10-4,30-11-5)31-12-6/h23H,7-22H2,1-6H3.
What are the key properties of 2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine?
2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine has a molecular weight of 513.82 g/mol, XLogP of 3.49, 26 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-triethoxysilylpropoxy)-N-[2-(3-triethoxysilylpropoxy)ethyl]ethanamine is sourced from PubChem (CID 141439899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).