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

C18H43NO4Si2 — CID 154406545

IUPAC2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine
SMILESCCO[SiH2]CCCOC(C)(C)CNCC(C)(C)OCCC[SiH2]OCC
InChIInChI=1S/C18H43NO4Si2/c1-7-22-24-13-9-11-20-17(3,4)15-19-16-18(5,6)21-12-10-14-25-23-8-2/h19H,7-16,24-25H2,1-6H3
InChIKeyRGQGJJUFFJKKTA-UHFFFAOYSA-N
MW393.72 g/mol
LogP2.02
Rot. Bonds18

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

2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine (PubChem CID 154406545) has the molecular formula C18H43NO4Si2 and a molecular weight of 393.72 g/mol. Its IUPAC name is 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine
PubChem CID154406545
Molecular FormulaC18H43NO4Si2
Molecular Weight393.72 g/mol
Exact Mass393.27
IUPAC Name2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine
SMILESCCO[SiH2]CCCOC(C)(C)CNCC(C)(C)OCCC[SiH2]OCC
InChIInChI=1S/C18H43NO4Si2/c1-7-22-24-13-9-11-20-17(3,4)15-19-16-18(5,6)21-12-10-14-25-23-8-2/h19H,7-16,24-25H2,1-6H3
InChIKeyRGQGJJUFFJKKTA-UHFFFAOYSA-N
XLogP2.02
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.72
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine 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 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine?
The IUPAC name of 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine (CID 154406545) is 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine?
The canonical SMILES for 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine is CCO[SiH2]CCCOC(C)(C)CNCC(C)(C)OCCC[SiH2]OCC.
What is the InChIKey of 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine?
The InChIKey is RGQGJJUFFJKKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H43NO4Si2/c1-7-22-24-13-9-11-20-17(3,4)15-19-16-18(5,6)21-12-10-14-25-23-8-2/h19H,7-16,24-25H2,1-6H3.
What are the key properties of 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine?
2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine has a molecular weight of 393.72 g/mol, XLogP of 2.02, 18 rotatable bonds, 1 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]-2-methylpropan-1-amine is sourced from PubChem (CID 154406545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).