4-N-(3-diethoxysilylpropoxymethyl)-2-N,4-N,6-N-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-6-N-[3-[methyl(trimethylsilyloxy)silyl]propoxymethyl]-2-N-(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine

C62H150N6O18Si13 — CID 137330762

About 4-N-(3-diethoxysilylpropoxymethyl)-2-N,4-N,6-N-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-6-N-[3-[methyl(trimethylsilyloxy)silyl]propoxymethyl]-2-N-(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine

4-N-(3-diethoxysilylpropoxymethyl)-2-N,4-N,6-N-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-6-N-[3-[methyl(trimethylsilyloxy)silyl]propoxymethyl]-2-N-(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 137330762) has the molecular formula C62H150N6O18Si13 and a molecular weight of 1633.02 g/mol. Its IUPAC name is 4-N-(3-diethoxysilylpropoxymethyl)-2-N,4-N,6-N-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-6-N-[3-[methyl(trimethylsilyloxy)silyl]propoxymethyl]-2-N-(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 4-N-(3-diethoxysilylpropoxymethyl)-2-N,4-N,6-N-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-6-N-[3-[methyl(trimethylsilyloxy)silyl]propoxymethyl]-2-N-(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 137330762
• Molecular Formula: C62H150N6O18Si13
• Molecular Weight: 1633.02 g/mol
• Exact Mass: 1630.80
• IUPAC Name: 4-N-(3-diethoxysilylpropoxymethyl)-2-N,4-N,6-N-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-6-N-[3-[methyl(trimethylsilyloxy)silyl]propoxymethyl]-2-N-(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCO[SiH](CCCOCN(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c1nc(N(COCCC[SiH](C)O[Si](C)(C)C)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)nc(N(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)COCCC[Si](OCC)(OCC)OCC)n1)OCC
• InChI: InChI=1S/C62H150N6O18Si13/c1-31-75-88(76-32-2)49-37-43-70-55-67(57-72-45-39-51-97(29,83-92(16,17)18)84-93(19,20)21)61-63-60(66(54-69-42-36-48-87(6)80-89(7,8)9)56-71-44-38-50-96(28,81-90(10,11)12)82-91(13,14)15)64-62(65-61)68(59-74-47-41-53-99(77-33-3,78-34-4)79-35-5)58-73-46-40-52-98(30,85-94(22,23)24)86-95(25,26)27/h87-88H,31-59H2,1-30H3
• InChIKey: ANNNAYZRSYSEOG-UHFFFAOYSA-N
• XLogP: 15.35
• TPSA: 214.53 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 63
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1633.02
LogP ≤ 5	15.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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 4-N-(3-diethoxysilylpropoxymethyl)-2-N,4-N,6-N-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-6-N-[3-[methyl(trimethylsilyloxy)silyl]propoxymethyl]-2-N-(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 4-N-(3-diethoxysilylpropoxymethyl)-2-N,4-N,6-N-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-6-N-[3-[methyl(trimethylsilyloxy)silyl]propoxymethyl]-2-N-(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 137330762) is 4-N-(3-diethoxysilylpropoxymethyl)-2-N,4-N,6-N-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-6-N-[3-[methyl(trimethylsilyloxy)silyl]propoxymethyl]-2-N-(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 4-N-(3-diethoxysilylpropoxymethyl)-2-N,4-N,6-N-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-6-N-[3-[methyl(trimethylsilyloxy)silyl]propoxymethyl]-2-N-(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 4-N-(3-diethoxysilylpropoxymethyl)-2-N,4-N,6-N-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-6-N-[3-[methyl(trimethylsilyloxy)silyl]propoxymethyl]-2-N-(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCO[SiH](CCCOCN(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c1nc(N(COCCC[SiH](C)O[Si](C)(C)C)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)nc(N(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)COCCC[Si](OCC)(OCC)OCC)n1)OCC.

What is the InChIKey of 4-N-(3-diethoxysilylpropoxymethyl)-2-N,4-N,6-N-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-6-N-[3-[methyl(trimethylsilyloxy)silyl]propoxymethyl]-2-N-(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is ANNNAYZRSYSEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H150N6O18Si13/c1-31-75-88(76-32-2)49-37-43-70-55-67(57-72-45-39-51-97(29,83-92(16,17)18)84-93(19,20)21)61-63-60(66(54-69-42-36-48-87(6)80-89(7,8)9)56-71-44-38-50-96(28,81-90(10,11)12)82-91(13,14)15)64-62(65-61)68(59-74-47-41-53-99(77-33-3,78-34-4)79-35-5)58-73-46-40-52-98(30,85-94(22,23)24)86-95(25,26)27/h87-88H,31-59H2,1-30H3.

What are the key properties of 4-N-(3-diethoxysilylpropoxymethyl)-2-N,4-N,6-N-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-6-N-[3-[methyl(trimethylsilyloxy)silyl]propoxymethyl]-2-N-(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?

4-N-(3-diethoxysilylpropoxymethyl)-2-N,4-N,6-N-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-6-N-[3-[methyl(trimethylsilyloxy)silyl]propoxymethyl]-2-N-(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1633.02 g/mol, XLogP of 15.35, 63 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(3-diethoxysilylpropoxymethyl)-2-N,4-N,6-N-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-6-N-[3-[methyl(trimethylsilyloxy)silyl]propoxymethyl]-2-N-(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 137330762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).