1-N'-(1-triethoxysilylethyl)propane-1,1-diamine

C11H28N2O3Si — CID 22020518

IUPAC1-N'-(1-triethoxysilylethyl)propane-1,1-diamine
SMILESCCO[Si](OCC)(OCC)C(C)NC(N)CC
InChIInChI=1S/C11H28N2O3Si/c1-6-11(12)13-10(5)17(14-7-2,15-8-3)16-9-4/h10-11,13H,6-9,12H2,1-5H3
InChIKeyCZMGQHSITMPJGV-UHFFFAOYSA-N
MW264.44 g/mol
LogP1.25
Rot. Bonds10

About 1-N'-(1-triethoxysilylethyl)propane-1,1-diamine

1-N'-(1-triethoxysilylethyl)propane-1,1-diamine (PubChem CID 22020518) has the molecular formula C11H28N2O3Si and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-N'-(1-triethoxysilylethyl)propane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(1-triethoxysilylethyl)propane-1,1-diamine
PubChem CID22020518
Molecular FormulaC11H28N2O3Si
Molecular Weight264.44 g/mol
Exact Mass264.19
IUPAC Name1-N'-(1-triethoxysilylethyl)propane-1,1-diamine
SMILESCCO[Si](OCC)(OCC)C(C)NC(N)CC
InChIInChI=1S/C11H28N2O3Si/c1-6-11(12)13-10(5)17(14-7-2,15-8-3)16-9-4/h10-11,13H,6-9,12H2,1-5H3
InChIKeyCZMGQHSITMPJGV-UHFFFAOYSA-N
XLogP1.25
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(1-triethoxysilylethyl)propane-1,1-diamine?
The IUPAC name of 1-N'-(1-triethoxysilylethyl)propane-1,1-diamine (CID 22020518) is 1-N'-(1-triethoxysilylethyl)propane-1,1-diamine.
What is the SMILES notation for 1-N'-(1-triethoxysilylethyl)propane-1,1-diamine?
The canonical SMILES for 1-N'-(1-triethoxysilylethyl)propane-1,1-diamine is CCO[Si](OCC)(OCC)C(C)NC(N)CC.
What is the InChIKey of 1-N'-(1-triethoxysilylethyl)propane-1,1-diamine?
The InChIKey is CZMGQHSITMPJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O3Si/c1-6-11(12)13-10(5)17(14-7-2,15-8-3)16-9-4/h10-11,13H,6-9,12H2,1-5H3.
What are the key properties of 1-N'-(1-triethoxysilylethyl)propane-1,1-diamine?
1-N'-(1-triethoxysilylethyl)propane-1,1-diamine has a molecular weight of 264.44 g/mol, XLogP of 1.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-triethoxysilylethyl)propane-1,1-diamine is sourced from PubChem (CID 22020518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).