2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine

C99H216N12O36Si10 — CID 137330909

IUPAC2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[SiH](CCCOCN(COC)c1nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCC[Si](C)(C)O[Si](C)(C)CCCOCN(COCCC[Si](OCC)(OCC)OCC)c2nc(N(COC)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)n2)n1)OCC
InChIInChI=1S/C99H216N12O36Si10/c1-30-124-148(125-31-2)72-53-62-114-84-106(82-112-24)94-100-98(110(90-120-68-59-78-155(138-44-15,139-45-16)140-46-17)91-121-69-60-79-156(141-47-18,142-48-19)143-49-20)105-99(103-94)111(92-122-70-61-80-157(144-50-21,145-51-22)146-52-23)93-123-71-81-150(28,29)147-149(26,27)73-54-63-115-86-108(87-117-65-56-75-152(129-35-6,130-36-7)131-37-8)96-101-95(107(83-113-25)85-116-64-55-74-151(126-32-3,127-33-4)128-34-5)102-97(104-96)109(88-118-66-57-76-153(132-38-9,133-39-10)134-40-11)89-119-67-58-77-154(135-41-12,136-42-13)137-43-14/h148H,30-93H2,1-29H3
InChIKeyXWYOAIIYUPJRPU-UHFFFAOYSA-N
MW2431.72 g/mol
LogP16.11
Rot. Bonds117

About 2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 137330909) has the molecular formula C99H216N12O36Si10 and a molecular weight of 2431.72 g/mol. Its IUPAC name is 2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID137330909
Molecular FormulaC99H216N12O36Si10
Molecular Weight2431.72 g/mol
Exact Mass2429.31
IUPAC Name2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[SiH](CCCOCN(COC)c1nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCC[Si](C)(C)O[Si](C)(C)CCCOCN(COCCC[Si](OCC)(OCC)OCC)c2nc(N(COC)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)n2)n1)OCC
InChIInChI=1S/C99H216N12O36Si10/c1-30-124-148(125-31-2)72-53-62-114-84-106(82-112-24)94-100-98(110(90-120-68-59-78-155(138-44-15,139-45-16)140-46-17)91-121-69-60-79-156(141-47-18,142-48-19)143-49-20)105-99(103-94)111(92-122-70-61-80-157(144-50-21,145-51-22)146-52-23)93-123-71-81-150(28,29)147-149(26,27)73-54-63-115-86-108(87-117-65-56-75-152(129-35-6,130-36-7)131-37-8)96-101-95(107(83-113-25)85-116-64-55-74-151(126-32-3,127-33-4)128-34-5)102-97(104-96)109(88-118-66-57-76-153(132-38-9,133-39-10)134-40-11)89-119-67-58-77-154(135-41-12,136-42-13)137-43-14/h148H,30-93H2,1-29H3
InChIKeyXWYOAIIYUPJRPU-UHFFFAOYSA-N
XLogP16.11
TPSA429.06 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds117
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002431.72
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

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'}

Analyze 2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

3-diethoxysilylpropyl(triethoxy)silane
CID 123524141
2-ethoxyethyl-[3-ethoxypropyl(dimethyl)silyl]oxy-dimethylsilane
CID 59964542
1-(3-triethoxysilylpropoxy)-N,N-bis(trimethylsilyl)methanamine
CID 90354545
2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 20676471
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860
triethoxy(3-methoxypropyl)silane
CID 22712922
3-(2-methoxyethoxy)propyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilane
CID 58607575
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 58341514
potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane
CID 139243285
diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 173170061

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 137330909) is 2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCO[SiH](CCCOCN(COC)c1nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCC[Si](C)(C)O[Si](C)(C)CCCOCN(COCCC[Si](OCC)(OCC)OCC)c2nc(N(COC)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)n2)n1)OCC.
What is the InChIKey of 2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XWYOAIIYUPJRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H216N12O36Si10/c1-30-124-148(125-31-2)72-53-62-114-84-106(82-112-24)94-100-98(110(90-120-68-59-78-155(138-44-15,139-45-16)140-46-17)91-121-69-60-79-156(141-47-18,142-48-19)143-49-20)105-99(103-94)111(92-122-70-61-80-157(144-50-21,145-51-22)146-52-23)93-123-71-81-150(28,29)147-149(26,27)73-54-63-115-86-108(87-117-65-56-75-152(129-35-6,130-36-7)131-37-8)96-101-95(107(83-113-25)85-116-64-55-74-151(126-32-3,127-33-4)128-34-5)102-97(104-96)109(88-118-66-57-76-153(132-38-9,133-39-10)134-40-11)89-119-67-58-77-154(135-41-12,136-42-13)137-43-14/h148H,30-93H2,1-29H3.
What are the key properties of 2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2431.72 g/mol, XLogP of 16.11, 117 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxymethyl]-6-N-(3-diethoxysilylpropoxymethyl)-6-N-(methoxymethyl)-2-N,4-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 137330909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).