6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-2-N,2-N,4-N,4-N,6-N-pentakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine

C34H71N7O8Si — CID 150382144

About 6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-2-N,2-N,4-N,4-N,6-N-pentakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine

6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-2-N,2-N,4-N,4-N,6-N-pentakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 150382144) has the molecular formula C34H71N7O8Si and a molecular weight of 734.07 g/mol. Its IUPAC name is 6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-2-N,2-N,4-N,4-N,6-N-pentakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-2-N,2-N,4-N,4-N,6-N-pentakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 150382144
• Molecular Formula: C34H71N7O8Si
• Molecular Weight: 734.07 g/mol
• Exact Mass: 733.51
• IUPAC Name: 6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-2-N,2-N,4-N,4-N,6-N-pentakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCOCN(COCCC)c1nc(N(COCCC)COCCC)nc(N(COCCC)CN(C)CCC[Si](OCC)(OCC)OCC)n1
• InChI: InChI=1S/C34H71N7O8Si/c1-10-20-42-27-39(26-38(9)19-18-25-50(47-15-6,48-16-7)49-17-8)32-35-33(40(28-43-21-11-2)29-44-22-12-3)37-34(36-32)41(30-45-23-13-4)31-46-24-14-5/h10-31H2,1-9H3
• InChIKey: GZYUBKZKVJECAS-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 125.47 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 35
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	734.07
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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'}

Frequently Asked Questions

What is the IUPAC name of 6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-2-N,2-N,4-N,4-N,6-N-pentakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-2-N,2-N,4-N,4-N,6-N-pentakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 150382144) is 6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-2-N,2-N,4-N,4-N,6-N-pentakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-2-N,2-N,4-N,4-N,6-N-pentakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-2-N,2-N,4-N,4-N,6-N-pentakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCCOCN(COCCC)c1nc(N(COCCC)COCCC)nc(N(COCCC)CN(C)CCC[Si](OCC)(OCC)OCC)n1.

What is the InChIKey of 6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-2-N,2-N,4-N,4-N,6-N-pentakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is GZYUBKZKVJECAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71N7O8Si/c1-10-20-42-27-39(26-38(9)19-18-25-50(47-15-6,48-16-7)49-17-8)32-35-33(40(28-43-21-11-2)29-44-22-12-3)37-34(36-32)41(30-45-23-13-4)31-46-24-14-5/h10-31H2,1-9H3.

What are the key properties of 6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-2-N,2-N,4-N,4-N,6-N-pentakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine?

6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-2-N,2-N,4-N,4-N,6-N-pentakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 734.07 g/mol, XLogP of 5.54, 35 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-2-N,2-N,4-N,4-N,6-N-pentakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 150382144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).