2-(3-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine

C20H47NO6Si2 — CID 154406544

IUPAC2-(3-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine
SMILESCCO[SiH](CCCOC(C)CNCC(C)OCCC[SiH](OCC)OCC)OCC
InChIInChI=1S/C20H47NO6Si2/c1-7-24-28(25-8-2)15-11-13-22-19(5)17-21-18-20(6)23-14-12-16-29(26-9-3)27-10-4/h19-21,28-29H,7-18H2,1-6H3
InChIKeyGUAUKTWJPZIKTO-UHFFFAOYSA-N
MW453.77 g/mol
LogP2.75
Rot. Bonds22

About 2-(3-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine

2-(3-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine (PubChem CID 154406544) has the molecular formula C20H47NO6Si2 and a molecular weight of 453.77 g/mol. Its IUPAC name is 2-(3-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name2-(3-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine
PubChem CID154406544
Molecular FormulaC20H47NO6Si2
Molecular Weight453.77 g/mol
Exact Mass453.29
IUPAC Name2-(3-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine
SMILESCCO[SiH](CCCOC(C)CNCC(C)OCCC[SiH](OCC)OCC)OCC
InChIInChI=1S/C20H47NO6Si2/c1-7-24-28(25-8-2)15-11-13-22-19(5)17-21-18-20(6)23-14-12-16-29(26-9-3)27-10-4/h19-21,28-29H,7-18H2,1-6H3
InChIKeyGUAUKTWJPZIKTO-UHFFFAOYSA-N
XLogP2.75
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine?
The IUPAC name of 2-(3-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine (CID 154406544) is 2-(3-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine.
What is the SMILES notation for 2-(3-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine?
The canonical SMILES for 2-(3-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine is CCO[SiH](CCCOC(C)CNCC(C)OCCC[SiH](OCC)OCC)OCC.
What is the InChIKey of 2-(3-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine?
The InChIKey is GUAUKTWJPZIKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H47NO6Si2/c1-7-24-28(25-8-2)15-11-13-22-19(5)17-21-18-20(6)23-14-12-16-29(26-9-3)27-10-4/h19-21,28-29H,7-18H2,1-6H3.
What are the key properties of 2-(3-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine?
2-(3-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine has a molecular weight of 453.77 g/mol, XLogP of 2.75, 22 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-diethoxysilylpropoxy)-N-[2-(3-diethoxysilylpropoxy)propyl]propan-1-amine is sourced from PubChem (CID 154406544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).