1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine

C11H28N2O3Si — CID 22169313

IUPAC1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine
SMILESCCO[Si](CCCNC(C)N)(OCC)OCC
InChIInChI=1S/C11H28N2O3Si/c1-5-14-17(15-6-2,16-7-3)10-8-9-13-11(4)12/h11,13H,5-10,12H2,1-4H3
InChIKeyVKTAGGKYQZXAMD-UHFFFAOYSA-N
MW264.44 g/mol
LogP1.32
Rot. Bonds11

About 1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine

1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine (PubChem CID 22169313) has the molecular formula C11H28N2O3Si and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine
PubChem CID22169313
Molecular FormulaC11H28N2O3Si
Molecular Weight264.44 g/mol
Exact Mass264.19
IUPAC Name1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine
SMILESCCO[Si](CCCNC(C)N)(OCC)OCC
InChIInChI=1S/C11H28N2O3Si/c1-5-14-17(15-6-2,16-7-3)10-8-9-13-11(4)12/h11,13H,5-10,12H2,1-4H3
InChIKeyVKTAGGKYQZXAMD-UHFFFAOYSA-N
XLogP1.32
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine (CID 22169313) is 1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine is CCO[Si](CCCNC(C)N)(OCC)OCC.
What is the InChIKey of 1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine?
The InChIKey is VKTAGGKYQZXAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O3Si/c1-5-14-17(15-6-2,16-7-3)10-8-9-13-11(4)12/h11,13H,5-10,12H2,1-4H3.
What are the key properties of 1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine?
1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine has a molecular weight of 264.44 g/mol, XLogP of 1.32, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine is sourced from PubChem (CID 22169313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).