2-methyl-3-triethoxysilylpropan-1-amine

C20H50N2O6Si2 — CID 160812597

IUPAC2-methyl-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CC(C)CN)(OCC)OCC.CCO[Si](CC(C)CN)(OCC)OCC
InChIInChI=1S/2C10H25NO3Si/c2*1-5-12-15(13-6-2,14-7-3)9-10(4)8-11/h2*10H,5-9,11H2,1-4H3
InChIKeySEMLORYCKCWYNL-UHFFFAOYSA-N
MW470.80 g/mol
LogP3.26
Rot. Bonds18

About 2-methyl-3-triethoxysilylpropan-1-amine

2-methyl-3-triethoxysilylpropan-1-amine (PubChem CID 160812597) has the molecular formula C20H50N2O6Si2 and a molecular weight of 470.80 g/mol. Its IUPAC name is 2-methyl-3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-triethoxysilylpropan-1-amine
PubChem CID160812597
Molecular FormulaC20H50N2O6Si2
Molecular Weight470.80 g/mol
Exact Mass470.32
IUPAC Name2-methyl-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CC(C)CN)(OCC)OCC.CCO[Si](CC(C)CN)(OCC)OCC
InChIInChI=1S/2C10H25NO3Si/c2*1-5-12-15(13-6-2,14-7-3)9-10(4)8-11/h2*10H,5-9,11H2,1-4H3
InChIKeySEMLORYCKCWYNL-UHFFFAOYSA-N
XLogP3.26
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.80
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 2-methyl-3-triethoxysilylpropan-1-amine?
The IUPAC name of 2-methyl-3-triethoxysilylpropan-1-amine (CID 160812597) is 2-methyl-3-triethoxysilylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-triethoxysilylpropan-1-amine?
The canonical SMILES for 2-methyl-3-triethoxysilylpropan-1-amine is CCO[Si](CC(C)CN)(OCC)OCC.CCO[Si](CC(C)CN)(OCC)OCC.
What is the InChIKey of 2-methyl-3-triethoxysilylpropan-1-amine?
The InChIKey is SEMLORYCKCWYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H25NO3Si/c2*1-5-12-15(13-6-2,14-7-3)9-10(4)8-11/h2*10H,5-9,11H2,1-4H3.
What are the key properties of 2-methyl-3-triethoxysilylpropan-1-amine?
2-methyl-3-triethoxysilylpropan-1-amine has a molecular weight of 470.80 g/mol, XLogP of 3.26, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 160812597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).