4-[diethoxy(methyl)silyl]butan-1-amine

C9H23NO2Si — CID 18214

IUPAC4-[diethoxy(methyl)silyl]butan-1-amine
SMILESCCO[Si](C)(CCCCN)OCC
InChIInChI=1S/C9H23NO2Si/c1-4-11-13(3,12-5-2)9-7-6-8-10/h4-10H2,1-3H3
InChIKeyYHFFINXFNYQPQA-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.87
Rot. Bonds8

About 4-[diethoxy(methyl)silyl]butan-1-amine

4-[diethoxy(methyl)silyl]butan-1-amine (PubChem CID 18214) has the molecular formula C9H23NO2Si and a molecular weight of 205.37 g/mol. Its IUPAC name is 4-[diethoxy(methyl)silyl]butan-1-amine.

Molecular Properties

Compound Name4-[diethoxy(methyl)silyl]butan-1-amine
PubChem CID18214
Molecular FormulaC9H23NO2Si
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name4-[diethoxy(methyl)silyl]butan-1-amine
SMILESCCO[Si](C)(CCCCN)OCC
InChIInChI=1S/C9H23NO2Si/c1-4-11-13(3,12-5-2)9-7-6-8-10/h4-10H2,1-3H3
InChIKeyYHFFINXFNYQPQA-UHFFFAOYSA-N
XLogP1.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[diethoxy(methyl)silyl]butan-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 4-[diethoxy(methyl)silyl]butan-1-amine?
The IUPAC name of 4-[diethoxy(methyl)silyl]butan-1-amine (CID 18214) is 4-[diethoxy(methyl)silyl]butan-1-amine.
What is the SMILES notation for 4-[diethoxy(methyl)silyl]butan-1-amine?
The canonical SMILES for 4-[diethoxy(methyl)silyl]butan-1-amine is CCO[Si](C)(CCCCN)OCC.
What is the InChIKey of 4-[diethoxy(methyl)silyl]butan-1-amine?
The InChIKey is YHFFINXFNYQPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO2Si/c1-4-11-13(3,12-5-2)9-7-6-8-10/h4-10H2,1-3H3.
What are the key properties of 4-[diethoxy(methyl)silyl]butan-1-amine?
4-[diethoxy(methyl)silyl]butan-1-amine has a molecular weight of 205.37 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethoxy(methyl)silyl]butan-1-amine is sourced from PubChem (CID 18214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).