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

C55H96N12O11Si2 — CID 89343068

IUPAC2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCCCN(CCCC=C)c1nc(N(COC)COCC=C)nc(N(COCC=C)COCCC[Si](C)(C)O[Si](C)(C)CCOCN(COCC=C)c2nc(N(COC)COCC=C)nc(N(COCC=C)COCC=C)n2)n1
InChIInChI=1S/C55H96N12O11Si2/c1-15-23-25-28-62(29-26-24-16-2)50-56-51(63(40-68-9)42-70-30-17-3)58-53(57-50)66(46-74-34-21-7)48-76-36-27-38-79(11,12)78-80(13,14)39-37-77-49-67(47-75-35-22-8)55-60-52(64(41-69-10)43-71-31-18-4)59-54(61-55)65(44-72-32-19-5)45-73-33-20-6/h15-22H,1-8,23-49H2,9-14H3
InChIKeyKJSUHAWRGJLJRN-UHFFFAOYSA-N
MW1157.62 g/mol
LogP8.46
Rot. Bonds55

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

2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 89343068) has the molecular formula C55H96N12O11Si2 and a molecular weight of 1157.62 g/mol. Its IUPAC name is 2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID89343068
Molecular FormulaC55H96N12O11Si2
Molecular Weight1157.62 g/mol
Exact Mass1156.69
IUPAC Name2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCCCN(CCCC=C)c1nc(N(COC)COCC=C)nc(N(COCC=C)COCCC[Si](C)(C)O[Si](C)(C)CCOCN(COCC=C)c2nc(N(COC)COCC=C)nc(N(COCC=C)COCC=C)n2)n1
InChIInChI=1S/C55H96N12O11Si2/c1-15-23-25-28-62(29-26-24-16-2)50-56-51(63(40-68-9)42-70-30-17-3)58-53(57-50)66(46-74-34-21-7)48-76-36-27-38-79(11,12)78-80(13,14)39-37-77-49-67(47-75-35-22-8)55-60-52(64(41-69-10)43-71-31-18-4)59-54(61-55)65(44-72-32-19-5)45-73-33-20-6/h15-22H,1-8,23-49H2,9-14H3
InChIKeyKJSUHAWRGJLJRN-UHFFFAOYSA-N
XLogP8.46
TPSA198.31 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds55
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001157.62
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

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'}

Analyze 2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

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
4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-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 89343458
4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-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;triethoxysilane
CID 157298937
2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine;triethoxysilane
CID 157406559
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine;triethoxysilane;trimethyl-[methyl(trimethylsilyloxy)silyl]oxysilane
CID 160300494
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-N-[2-[methyl-bis(trimethylsilyloxy)silyl]ethoxymethyl]-2-N,6-N-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-4-N,4-N,6-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine;triethoxysilane;trimethyl-[methyl(trimethylsilyloxy)silyl]oxysilane
CID 161084796

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 89343068) is 2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine is C=CCCCN(CCCC=C)c1nc(N(COC)COCC=C)nc(N(COCC=C)COCCC[Si](C)(C)O[Si](C)(C)CCOCN(COCC=C)c2nc(N(COC)COCC=C)nc(N(COCC=C)COCC=C)n2)n1.
What is the InChIKey of 2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KJSUHAWRGJLJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H96N12O11Si2/c1-15-23-25-28-62(29-26-24-16-2)50-56-51(63(40-68-9)42-70-30-17-3)58-53(57-50)66(46-74-34-21-7)48-76-36-27-38-79(11,12)78-80(13,14)39-37-77-49-67(47-75-35-22-8)55-60-52(64(41-69-10)43-71-31-18-4)59-54(61-55)65(44-72-32-19-5)45-73-33-20-6/h15-22H,1-8,23-49H2,9-14H3.
What are the key properties of 2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1157.62 g/mol, XLogP of 8.46, 55 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-4-N-(methoxymethyl)-6-N,6-N-bis(pent-4-enyl)-2-N,4-N-bis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 89343068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).