N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine

C32H76N2O11Si4 — CID 171623585

IUPACN-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCNCCC[Si](OCC)(OCC)O[Si](CCCNCCC[Si](OCC)(OCC)OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C32H76N2O11Si4/c1-11-35-46(36-12-2,37-13-3)29-21-25-33-27-23-31-48(41-17-7,42-18-8)45-49(43-19-9,44-20-10)32-24-28-34-26-22-30-47(38-14-4,39-15-5)40-16-6/h33-34H,11-32H2,1-10H3
InChIKeyRDYHVHAIESWZQA-UHFFFAOYSA-N
MW777.31 g/mol
LogP5.86
Rot. Bonds38

About N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine

N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine (PubChem CID 171623585) has the molecular formula C32H76N2O11Si4 and a molecular weight of 777.31 g/mol. Its IUPAC name is N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
PubChem CID171623585
Molecular FormulaC32H76N2O11Si4
Molecular Weight777.31 g/mol
Exact Mass776.45
IUPAC NameN-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCNCCC[Si](OCC)(OCC)O[Si](CCCNCCC[Si](OCC)(OCC)OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C32H76N2O11Si4/c1-11-35-46(36-12-2,37-13-3)29-21-25-33-27-23-31-48(41-17-7,42-18-8)45-49(43-19-9,44-20-10)32-24-28-34-26-22-30-47(38-14-4,39-15-5)40-16-6/h33-34H,11-32H2,1-10H3
InChIKeyRDYHVHAIESWZQA-UHFFFAOYSA-N
XLogP5.86
TPSA125.59 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds38
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500777.31
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-triethoxysilylpropan-1-amine;silane
CID 161213931
N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
CID 171623525
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
CID 169060435
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine
CID 168864834
2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine
CID 59649171
bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate
CID 174636831
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine
CID 143956342
3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine
CID 171623611

Frequently Asked Questions

What is the IUPAC name of N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine?
The IUPAC name of N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine (CID 171623585) is N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine.
What is the SMILES notation for N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine?
The canonical SMILES for N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine is CCO[Si](CCCNCCC[Si](OCC)(OCC)O[Si](CCCNCCC[Si](OCC)(OCC)OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine?
The InChIKey is RDYHVHAIESWZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H76N2O11Si4/c1-11-35-46(36-12-2,37-13-3)29-21-25-33-27-23-31-48(41-17-7,42-18-8)45-49(43-19-9,44-20-10)32-24-28-34-26-22-30-47(38-14-4,39-15-5)40-16-6/h33-34H,11-32H2,1-10H3.
What are the key properties of N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine?
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine has a molecular weight of 777.31 g/mol, XLogP of 5.86, 38 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 171623585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).