N-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine

C27H61NO8Si2 — CID 141439907

IUPACN-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine
SMILESCCO[Si](CCCCCOCCN(C)CCOCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C27H61NO8Si2/c1-8-31-37(32-9-2,33-10-3)26-18-14-16-22-29-24-20-28(7)21-25-30-23-17-15-19-27-38(34-11-4,35-12-5)36-13-6/h8-27H2,1-7H3
InChIKeyLSGCWXSYUYIMNG-UHFFFAOYSA-N
MW583.96 g/mol
LogP5.39
Rot. Bonds30

About N-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine

N-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine (PubChem CID 141439907) has the molecular formula C27H61NO8Si2 and a molecular weight of 583.96 g/mol. Its IUPAC name is N-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine
PubChem CID141439907
Molecular FormulaC27H61NO8Si2
Molecular Weight583.96 g/mol
Exact Mass583.39
IUPAC NameN-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine
SMILESCCO[Si](CCCCCOCCN(C)CCOCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C27H61NO8Si2/c1-8-31-37(32-9-2,33-10-3)26-18-14-16-22-29-24-20-28(7)21-25-30-23-17-15-19-27-38(34-11-4,35-12-5)36-13-6/h8-27H2,1-7H3
InChIKeyLSGCWXSYUYIMNG-UHFFFAOYSA-N
XLogP5.39
TPSA77.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.96
LogP ≤ 55.39
H-Bond Donors ≤ 50
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
2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine
CID 141439893
triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane
CID 161118607
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine?
The IUPAC name of N-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine (CID 141439907) is N-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine.
What is the SMILES notation for N-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine?
The canonical SMILES for N-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine is CCO[Si](CCCCCOCCN(C)CCOCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of N-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine?
The InChIKey is LSGCWXSYUYIMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H61NO8Si2/c1-8-31-37(32-9-2,33-10-3)26-18-14-16-22-29-24-20-28(7)21-25-30-23-17-15-19-27-38(34-11-4,35-12-5)36-13-6/h8-27H2,1-7H3.
What are the key properties of N-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine?
N-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine has a molecular weight of 583.96 g/mol, XLogP of 5.39, 30 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-triethoxysilylpentoxy)-N-[2-(5-triethoxysilylpentoxy)ethyl]ethanamine is sourced from PubChem (CID 141439907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).