2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine

C20H47NO4Si2 — CID 154406549

IUPAC2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCO[SiH2]CCCOC(C)(C)CN(CC)CC(C)(C)OCCC[SiH2]OCC
InChIInChI=1S/C20H47NO4Si2/c1-8-21(17-19(4,5)22-13-11-15-26-24-9-2)18-20(6,7)23-14-12-16-27-25-10-3/h8-18,26-27H2,1-7H3
InChIKeyWNOOQPHLSYOMRN-UHFFFAOYSA-N
MW421.77 g/mol
LogP2.76
Rot. Bonds19

About 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine

2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 154406549) has the molecular formula C20H47NO4Si2 and a molecular weight of 421.77 g/mol. Its IUPAC name is 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine
PubChem CID154406549
Molecular FormulaC20H47NO4Si2
Molecular Weight421.77 g/mol
Exact Mass421.30
IUPAC Name2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCO[SiH2]CCCOC(C)(C)CN(CC)CC(C)(C)OCCC[SiH2]OCC
InChIInChI=1S/C20H47NO4Si2/c1-8-21(17-19(4,5)22-13-11-15-26-24-9-2)18-20(6,7)23-14-12-16-27-25-10-3/h8-18,26-27H2,1-7H3
InChIKeyWNOOQPHLSYOMRN-UHFFFAOYSA-N
XLogP2.76
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.77
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine (CID 154406549) is 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine is CCO[SiH2]CCCOC(C)(C)CN(CC)CC(C)(C)OCCC[SiH2]OCC.
What is the InChIKey of 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is WNOOQPHLSYOMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H47NO4Si2/c1-8-21(17-19(4,5)22-13-11-15-26-24-9-2)18-20(6,7)23-14-12-16-27-25-10-3/h8-18,26-27H2,1-7H3.
What are the key properties of 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine?
2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 421.77 g/mol, XLogP of 2.76, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 154406549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).