About 4-[diethyl(propyl)silyl]butan-1-amine
4-[diethyl(propyl)silyl]butan-1-amine (PubChem CID 87970561) has the molecular formula C11H27NSi
and a molecular weight of 201.43 g/mol. Its IUPAC name is 4-[diethyl(propyl)silyl]butan-1-amine.
Molecular Properties
| Compound Name | 4-[diethyl(propyl)silyl]butan-1-amine |
| PubChem CID | 87970561 |
| Molecular Formula | C11H27NSi |
| Molecular Weight | 201.43 g/mol |
| Exact Mass | 201.19 |
| IUPAC Name | 4-[diethyl(propyl)silyl]butan-1-amine |
| SMILES | CCC[Si](CC)(CC)CCCCN |
| InChI | InChI=1S/C11H27NSi/c1-4-10-13(5-2,6-3)11-8-7-9-12/h4-12H2,1-3H3 |
| InChIKey | DKOYKNRSAUVLHW-UHFFFAOYSA-N |
| XLogP | 3.62 |
| TPSA | 26.02 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 201.43 |
| LogP ≤ 5 | 3.62 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze 4-[diethyl(propyl)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-[diethyl(propyl)silyl]butan-1-amine?
The IUPAC name of 4-[diethyl(propyl)silyl]butan-1-amine (CID 87970561) is 4-[diethyl(propyl)silyl]butan-1-amine.
What is the SMILES notation for 4-[diethyl(propyl)silyl]butan-1-amine?
The canonical SMILES for 4-[diethyl(propyl)silyl]butan-1-amine is CCC[Si](CC)(CC)CCCCN.
What is the InChIKey of 4-[diethyl(propyl)silyl]butan-1-amine?
The InChIKey is DKOYKNRSAUVLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NSi/c1-4-10-13(5-2,6-3)11-8-7-9-12/h4-12H2,1-3H3.
What are the key properties of 4-[diethyl(propyl)silyl]butan-1-amine?
4-[diethyl(propyl)silyl]butan-1-amine has a molecular weight of 201.43 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethyl(propyl)silyl]butan-1-amine is sourced from PubChem (CID 87970561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).