N-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine

C23H53NO8Si2 — CID 141439999

IUPACN-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine
SMILESCO[Si](CCCCCCOCCN(C)CCOCCCCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C23H53NO8Si2/c1-24(16-20-31-18-12-8-10-14-22-33(25-2,26-3)27-4)17-21-32-19-13-9-11-15-23-34(28-5,29-6)30-7/h8-23H2,1-7H3
InChIKeyYLOYXJRPDWZHKD-UHFFFAOYSA-N
MW527.85 g/mol
LogP3.83
Rot. Bonds26

About N-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine

N-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine (PubChem CID 141439999) has the molecular formula C23H53NO8Si2 and a molecular weight of 527.85 g/mol. Its IUPAC name is N-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine
PubChem CID141439999
Molecular FormulaC23H53NO8Si2
Molecular Weight527.85 g/mol
Exact Mass527.33
IUPAC NameN-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine
SMILESCO[Si](CCCCCCOCCN(C)CCOCCCCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C23H53NO8Si2/c1-24(16-20-31-18-12-8-10-14-22-33(25-2,26-3)27-4)17-21-32-19-13-9-11-15-23-34(28-5,29-6)30-7/h8-23H2,1-7H3
InChIKeyYLOYXJRPDWZHKD-UHFFFAOYSA-N
XLogP3.83
TPSA77.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.85
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine?
The IUPAC name of N-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine (CID 141439999) is N-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine.
What is the SMILES notation for N-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine?
The canonical SMILES for N-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine is CO[Si](CCCCCCOCCN(C)CCOCCCCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of N-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine?
The InChIKey is YLOYXJRPDWZHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H53NO8Si2/c1-24(16-20-31-18-12-8-10-14-22-33(25-2,26-3)27-4)17-21-32-19-13-9-11-15-23-34(28-5,29-6)30-7/h8-23H2,1-7H3.
What are the key properties of N-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine?
N-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine has a molecular weight of 527.85 g/mol, XLogP of 3.83, 26 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine is sourced from PubChem (CID 141439999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).