2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine

C33H72N6O9Si3 — CID 142752696

About 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 142752696) has the molecular formula C33H72N6O9Si3 and a molecular weight of 781.23 g/mol. Its IUPAC name is 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 142752696
• Molecular Formula: C33H72N6O9Si3
• Molecular Weight: 781.23 g/mol
• Exact Mass: 780.47
• IUPAC Name: 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCO[Si](CCCN(C)c1nc(N(C)CCC[Si](OCC)(OCC)OCC)nc(N(C)CCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC
• InChI: InChI=1S/C33H72N6O9Si3/c1-13-40-49(41-14-2,42-15-3)28-22-25-37(10)31-34-32(38(11)26-23-29-50(43-16-4,44-17-5)45-18-6)36-33(35-31)39(12)27-24-30-51(46-19-7,47-20-8)48-21-9/h13-30H2,1-12H3
• InChIKey: XFAIERFBBVQJAB-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 131.46 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 33
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	781.23
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (CID 142752696) is 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is CCO[Si](CCCN(C)c1nc(N(C)CCC[Si](OCC)(OCC)OCC)nc(N(C)CCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC.

What is the InChIKey of 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is XFAIERFBBVQJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H72N6O9Si3/c1-13-40-49(41-14-2,42-15-3)28-22-25-37(10)31-34-32(38(11)26-23-29-50(43-16-4,44-17-5)45-18-6)36-33(35-31)39(12)27-24-30-51(46-19-7,47-20-8)48-21-9/h13-30H2,1-12H3.

What are the key properties of 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?

2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 781.23 g/mol, XLogP of 5.50, 33 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 142752696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).