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

C29H65NO8Si2 — CID 141439937

IUPACN-methyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine
SMILESCCO[Si](CCCCCCOCCN(C)CCOCCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C29H65NO8Si2/c1-8-33-39(34-9-2,35-10-3)28-20-16-14-18-24-31-26-22-30(7)23-27-32-25-19-15-17-21-29-40(36-11-4,37-12-5)38-13-6/h8-29H2,1-7H3
InChIKeyVHPUPJQVGSLPNK-UHFFFAOYSA-N
MW612.01 g/mol
LogP6.17
Rot. Bonds32

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

N-methyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine (PubChem CID 141439937) has the molecular formula C29H65NO8Si2 and a molecular weight of 612.01 g/mol. Its IUPAC name is N-methyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine
PubChem CID141439937
Molecular FormulaC29H65NO8Si2
Molecular Weight612.01 g/mol
Exact Mass611.42
IUPAC NameN-methyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine
SMILESCCO[Si](CCCCCCOCCN(C)CCOCCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C29H65NO8Si2/c1-8-33-39(34-9-2,35-10-3)28-20-16-14-18-24-31-26-22-30(7)23-27-32-25-19-15-17-21-29-40(36-11-4,37-12-5)38-13-6/h8-29H2,1-7H3
InChIKeyVHPUPJQVGSLPNK-UHFFFAOYSA-N
XLogP6.17
TPSA77.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds32
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.01
LogP ≤ 56.17
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-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine?
The IUPAC name of N-methyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine (CID 141439937) is N-methyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine.
What is the SMILES notation for N-methyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine?
The canonical SMILES for N-methyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine is CCO[Si](CCCCCCOCCN(C)CCOCCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of N-methyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine?
The InChIKey is VHPUPJQVGSLPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H65NO8Si2/c1-8-33-39(34-9-2,35-10-3)28-20-16-14-18-24-31-26-22-30(7)23-27-32-25-19-15-17-21-29-40(36-11-4,37-12-5)38-13-6/h8-29H2,1-7H3.
What are the key properties of N-methyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine?
N-methyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine has a molecular weight of 612.01 g/mol, XLogP of 6.17, 32 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine is sourced from PubChem (CID 141439937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).