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

C30H67NO8Si2 — CID 141439928

IUPACN-ethyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine
SMILESCCO[Si](CCCCCCOCCN(CC)CCOCCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C30H67NO8Si2/c1-8-31(23-27-32-25-19-15-17-21-29-40(34-9-2,35-10-3)36-11-4)24-28-33-26-20-16-18-22-30-41(37-12-5,38-13-6)39-14-7/h8-30H2,1-7H3
InChIKeyUKQNBMMFTAFESK-UHFFFAOYSA-N
MW626.04 g/mol
LogP6.56
Rot. Bonds33

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

N-ethyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine (PubChem CID 141439928) has the molecular formula C30H67NO8Si2 and a molecular weight of 626.04 g/mol. Its IUPAC name is N-ethyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine
PubChem CID141439928
Molecular FormulaC30H67NO8Si2
Molecular Weight626.04 g/mol
Exact Mass625.44
IUPAC NameN-ethyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine
SMILESCCO[Si](CCCCCCOCCN(CC)CCOCCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C30H67NO8Si2/c1-8-31(23-27-32-25-19-15-17-21-29-40(34-9-2,35-10-3)36-11-4)24-28-33-26-20-16-18-22-30-41(37-12-5,38-13-6)39-14-7/h8-30H2,1-7H3
InChIKeyUKQNBMMFTAFESK-UHFFFAOYSA-N
XLogP6.56
TPSA77.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds33
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.04
LogP ≤ 56.56
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'}

Analyze N-ethyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine?
The IUPAC name of N-ethyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine (CID 141439928) is N-ethyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine.
What is the SMILES notation for N-ethyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine?
The canonical SMILES for N-ethyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine is CCO[Si](CCCCCCOCCN(CC)CCOCCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of N-ethyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine?
The InChIKey is UKQNBMMFTAFESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H67NO8Si2/c1-8-31(23-27-32-25-19-15-17-21-29-40(34-9-2,35-10-3)36-11-4)24-28-33-26-20-16-18-22-30-41(37-12-5,38-13-6)39-14-7/h8-30H2,1-7H3.
What are the key properties of N-ethyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine?
N-ethyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine has a molecular weight of 626.04 g/mol, XLogP of 6.56, 33 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine is sourced from PubChem (CID 141439928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).