1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine

C10H27N3O3Si — CID 87093678

IUPAC1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine
SMILESCCC(N(C(C)N)C(C)N)[Si](OC)(OC)OC
InChIInChI=1S/C10H27N3O3Si/c1-7-10(13(8(2)11)9(3)12)17(14-4,15-5)16-6/h8-10H,7,11-12H2,1-6H3
InChIKeyWIMLIJPIGLETBB-UHFFFAOYSA-N
MW265.43 g/mol
LogP0.09
Rot. Bonds8

About 1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine

1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine (PubChem CID 87093678) has the molecular formula C10H27N3O3Si and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine
PubChem CID87093678
Molecular FormulaC10H27N3O3Si
Molecular Weight265.43 g/mol
Exact Mass265.18
IUPAC Name1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine
SMILESCCC(N(C(C)N)C(C)N)[Si](OC)(OC)OC
InChIInChI=1S/C10H27N3O3Si/c1-7-10(13(8(2)11)9(3)12)17(14-4,15-5)16-6/h8-10H,7,11-12H2,1-6H3
InChIKeyWIMLIJPIGLETBB-UHFFFAOYSA-N
XLogP0.09
TPSA82.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)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'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine (CID 87093678) is 1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine is CCC(N(C(C)N)C(C)N)[Si](OC)(OC)OC.
What is the InChIKey of 1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine?
The InChIKey is WIMLIJPIGLETBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27N3O3Si/c1-7-10(13(8(2)11)9(3)12)17(14-4,15-5)16-6/h8-10H,7,11-12H2,1-6H3.
What are the key properties of 1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine?
1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine has a molecular weight of 265.43 g/mol, XLogP of 0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine is sourced from PubChem (CID 87093678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).