3-diethoxysilylpropan-1-amine

C7H19NO2Si — CID 71365691

IUPAC3-diethoxysilylpropan-1-amine
SMILESCCO[SiH](CCCN)OCC
InChIInChI=1S/C7H19NO2Si/c1-3-9-11(10-4-2)7-5-6-8/h11H,3-8H2,1-2H3
InChIKeyOKHIGGWUISQLMG-UHFFFAOYSA-N
MW177.32 g/mol
LogP0.63
Rot. Bonds7

About 3-diethoxysilylpropan-1-amine

3-diethoxysilylpropan-1-amine (PubChem CID 71365691) has the molecular formula C7H19NO2Si and a molecular weight of 177.32 g/mol. Its IUPAC name is 3-diethoxysilylpropan-1-amine.

Molecular Properties

Compound Name3-diethoxysilylpropan-1-amine
PubChem CID71365691
Molecular FormulaC7H19NO2Si
Molecular Weight177.32 g/mol
Exact Mass177.12
IUPAC Name3-diethoxysilylpropan-1-amine
SMILESCCO[SiH](CCCN)OCC
InChIInChI=1S/C7H19NO2Si/c1-3-9-11(10-4-2)7-5-6-8/h11H,3-8H2,1-2H3
InChIKeyOKHIGGWUISQLMG-UHFFFAOYSA-N
XLogP0.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diethoxysilylpropan-1-amine?
The IUPAC name of 3-diethoxysilylpropan-1-amine (CID 71365691) is 3-diethoxysilylpropan-1-amine.
What is the SMILES notation for 3-diethoxysilylpropan-1-amine?
The canonical SMILES for 3-diethoxysilylpropan-1-amine is CCO[SiH](CCCN)OCC.
What is the InChIKey of 3-diethoxysilylpropan-1-amine?
The InChIKey is OKHIGGWUISQLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19NO2Si/c1-3-9-11(10-4-2)7-5-6-8/h11H,3-8H2,1-2H3.
What are the key properties of 3-diethoxysilylpropan-1-amine?
3-diethoxysilylpropan-1-amine has a molecular weight of 177.32 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxysilylpropan-1-amine is sourced from PubChem (CID 71365691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).