N-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine

C16H37NO4Si — CID 142737723

IUPACN-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine
SMILESCCCO[Si](CCCNCCOCC)(OCCC)OCCC
InChIInChI=1S/C16H37NO4Si/c1-5-12-19-22(20-13-6-2,21-14-7-3)16-9-10-17-11-15-18-8-4/h17H,5-16H2,1-4H3
InChIKeyYMJFBFFGSJPFKC-UHFFFAOYSA-N
MW335.56 g/mol
LogP3.22
Rot. Bonds17

About N-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine

N-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine (PubChem CID 142737723) has the molecular formula C16H37NO4Si and a molecular weight of 335.56 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine
PubChem CID142737723
Molecular FormulaC16H37NO4Si
Molecular Weight335.56 g/mol
Exact Mass335.25
IUPAC NameN-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine
SMILESCCCO[Si](CCCNCCOCC)(OCCC)OCCC
InChIInChI=1S/C16H37NO4Si/c1-5-12-19-22(20-13-6-2,21-14-7-3)16-9-10-17-11-15-18-8-4/h17H,5-16H2,1-4H3
InChIKeyYMJFBFFGSJPFKC-UHFFFAOYSA-N
XLogP3.22
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.56
LogP ≤ 53.22
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 N-(2-ethoxyethyl)-3-tripropoxysilylpropan-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 N-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine?
The IUPAC name of N-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine (CID 142737723) is N-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine?
The canonical SMILES for N-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine is CCCO[Si](CCCNCCOCC)(OCCC)OCCC.
What is the InChIKey of N-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine?
The InChIKey is YMJFBFFGSJPFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37NO4Si/c1-5-12-19-22(20-13-6-2,21-14-7-3)16-9-10-17-11-15-18-8-4/h17H,5-16H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine?
N-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine has a molecular weight of 335.56 g/mol, XLogP of 3.22, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-tripropoxysilylpropan-1-amine is sourced from PubChem (CID 142737723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).