4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine

C54H94N12O13Si2 — CID 58418634

About 4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine

4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 58418634) has the molecular formula C54H94N12O13Si2 and a molecular weight of 1175.59 g/mol. Its IUPAC name is 4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 58418634
• Molecular Formula: C54H94N12O13Si2
• Molecular Weight: 1175.59 g/mol
• Exact Mass: 1174.66
• IUPAC Name: 4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
• SMILES: C=CCOCN(COC)c1nc(N(COCC=C)COCC=C)nc(N(COCC=C)COCCC[Si](C)(C)O[Si](C)(C)CCCOCN(COCC=C)c2nc(N(COC)COCC=C)nc(N(COCC=C)COCC=C)n2)n1
• InChI: InChI=1S/C54H94N12O13Si2/c1-15-25-69-39-61(37-67-9)49-55-51(63(41-71-27-17-3)42-72-28-18-4)59-53(57-49)65(45-75-31-21-7)47-77-33-23-35-80(11,12)79-81(13,14)36-24-34-78-48-66(46-76-32-22-8)54-58-50(62(38-68-10)40-70-26-16-2)56-52(60-54)64(43-73-29-19-5)44-74-30-20-6/h15-22H,1-8,23-48H2,9-14H3
• InChIKey: OPOCUQNJPUSNMI-UHFFFAOYSA-N
• XLogP: 7.24
• TPSA: 216.77 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 56
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1175.59
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 58418634) is 4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine is C=CCOCN(COC)c1nc(N(COCC=C)COCC=C)nc(N(COCC=C)COCCC[Si](C)(C)O[Si](C)(C)CCCOCN(COCC=C)c2nc(N(COC)COCC=C)nc(N(COCC=C)COCC=C)n2)n1.

What is the InChIKey of 4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is OPOCUQNJPUSNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H94N12O13Si2/c1-15-25-69-39-61(37-67-9)49-55-51(63(41-71-27-17-3)42-72-28-18-4)59-53(57-49)65(45-75-31-21-7)47-77-33-23-35-80(11,12)79-81(13,14)36-24-34-78-48-66(46-76-32-22-8)54-58-50(62(38-68-10)40-70-26-16-2)56-52(60-54)64(43-73-29-19-5)44-74-30-20-6/h15-22H,1-8,23-48H2,9-14H3.

What are the key properties of 4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?

4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1175.59 g/mol, XLogP of 7.24, 56 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[3-[[3-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 58418634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).