2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine

C28H63NO8Si2 — CID 141439893

IUPAC2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine
SMILESCCO[Si](CCCCCCOCCNCCOCCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C28H63NO8Si2/c1-7-32-38(33-8-2,34-9-3)27-19-15-13-17-23-30-25-21-29-22-26-31-24-18-14-16-20-28-39(35-10-4,36-11-5)37-12-6/h29H,7-28H2,1-6H3
InChIKeyRGUONQZQPQCLQD-UHFFFAOYSA-N
MW597.98 g/mol
LogP5.83
Rot. Bonds32

About 2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine

2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine (PubChem CID 141439893) has the molecular formula C28H63NO8Si2 and a molecular weight of 597.98 g/mol. Its IUPAC name is 2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine
PubChem CID141439893
Molecular FormulaC28H63NO8Si2
Molecular Weight597.98 g/mol
Exact Mass597.41
IUPAC Name2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine
SMILESCCO[Si](CCCCCCOCCNCCOCCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C28H63NO8Si2/c1-7-32-38(33-8-2,34-9-3)27-19-15-13-17-23-30-25-21-29-22-26-31-24-18-14-16-20-28-39(35-10-4,36-11-5)37-12-6/h29H,7-28H2,1-6H3
InChIKeyRGUONQZQPQCLQD-UHFFFAOYSA-N
XLogP5.83
TPSA85.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds32
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.98
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
N-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine
CID 141439907
methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane
CID 161118607
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
dodecyl(triethoxy)silane;tridecane
CID 174970002

Frequently Asked Questions

What is the IUPAC name of 2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine?
The IUPAC name of 2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine (CID 141439893) is 2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine?
The canonical SMILES for 2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine is CCO[Si](CCCCCCOCCNCCOCCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine?
The InChIKey is RGUONQZQPQCLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H63NO8Si2/c1-7-32-38(33-8-2,34-9-3)27-19-15-13-17-23-30-25-21-29-22-26-31-24-18-14-16-20-28-39(35-10-4,36-11-5)37-12-6/h29H,7-28H2,1-6H3.
What are the key properties of 2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine?
2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine has a molecular weight of 597.98 g/mol, XLogP of 5.83, 32 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine is sourced from PubChem (CID 141439893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).