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

C24H55NO8Si2 — CID 141439939

IUPACN-ethyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine
SMILESCCN(CCOCCCCCC[Si](OC)(OC)OC)CCOCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C24H55NO8Si2/c1-8-25(17-21-32-19-13-9-11-15-23-34(26-2,27-3)28-4)18-22-33-20-14-10-12-16-24-35(29-5,30-6)31-7/h8-24H2,1-7H3
InChIKeySAMHQBZEZUGKPK-UHFFFAOYSA-N
MW541.88 g/mol
LogP4.22
Rot. Bonds27

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

N-ethyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine (PubChem CID 141439939) has the molecular formula C24H55NO8Si2 and a molecular weight of 541.88 g/mol. Its IUPAC name is N-ethyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine
PubChem CID141439939
Molecular FormulaC24H55NO8Si2
Molecular Weight541.88 g/mol
Exact Mass541.35
IUPAC NameN-ethyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine
SMILESCCN(CCOCCCCCC[Si](OC)(OC)OC)CCOCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C24H55NO8Si2/c1-8-25(17-21-32-19-13-9-11-15-23-34(26-2,27-3)28-4)18-22-33-20-14-10-12-16-24-35(29-5,30-6)31-7/h8-24H2,1-7H3
InChIKeySAMHQBZEZUGKPK-UHFFFAOYSA-N
XLogP4.22
TPSA77.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.88
LogP ≤ 54.22
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-ethyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine?
The IUPAC name of N-ethyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine (CID 141439939) is N-ethyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine.
What is the SMILES notation for N-ethyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine?
The canonical SMILES for N-ethyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine is CCN(CCOCCCCCC[Si](OC)(OC)OC)CCOCCCCCC[Si](OC)(OC)OC.
What is the InChIKey of N-ethyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine?
The InChIKey is SAMHQBZEZUGKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H55NO8Si2/c1-8-25(17-21-32-19-13-9-11-15-23-34(26-2,27-3)28-4)18-22-33-20-14-10-12-16-24-35(29-5,30-6)31-7/h8-24H2,1-7H3.
What are the key properties of N-ethyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine?
N-ethyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine has a molecular weight of 541.88 g/mol, XLogP of 4.22, 27 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(6-trimethoxysilylhexoxy)-N-[2-(6-trimethoxysilylhexoxy)ethyl]ethanamine is sourced from PubChem (CID 141439939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).