About N-cyclooctyl-1-triethylsilylethanimine
N-cyclooctyl-1-triethylsilylethanimine (PubChem CID 101358854) has the molecular formula C16H33NSi
and a molecular weight of 267.53 g/mol. Its IUPAC name is N-cyclooctyl-1-triethylsilylethanimine.
Molecular Properties
| Compound Name | N-cyclooctyl-1-triethylsilylethanimine |
| PubChem CID | 101358854 |
| Molecular Formula | C16H33NSi |
| Molecular Weight | 267.53 g/mol |
| Exact Mass | 267.24 |
| IUPAC Name | N-cyclooctyl-1-triethylsilylethanimine |
| SMILES | CC[Si](CC)(CC)/C(C)=N/C1CCCCCCC1 |
| InChI | InChI=1S/C16H33NSi/c1-5-18(6-2,7-3)15(4)17-16-13-11-9-8-10-12-14-16/h16H,5-14H2,1-4H3/b17-15+ |
| InChIKey | UNEABNLEFRTPHQ-BMRADRMJSA-N |
| XLogP | 5.61 |
| TPSA | 12.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 267.53 |
| LogP ≤ 5 | 5.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
Analyze N-cyclooctyl-1-triethylsilylethanimine 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-cyclooctyl-1-triethylsilylethanimine?
The IUPAC name of N-cyclooctyl-1-triethylsilylethanimine (CID 101358854) is N-cyclooctyl-1-triethylsilylethanimine.
What is the SMILES notation for N-cyclooctyl-1-triethylsilylethanimine?
The canonical SMILES for N-cyclooctyl-1-triethylsilylethanimine is CC[Si](CC)(CC)/C(C)=N/C1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-1-triethylsilylethanimine?
The InChIKey is UNEABNLEFRTPHQ-BMRADRMJSA-N. The full InChI is InChI=1S/C16H33NSi/c1-5-18(6-2,7-3)15(4)17-16-13-11-9-8-10-12-14-16/h16H,5-14H2,1-4H3/b17-15+.
What are the key properties of N-cyclooctyl-1-triethylsilylethanimine?
N-cyclooctyl-1-triethylsilylethanimine has a molecular weight of 267.53 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-triethylsilylethanimine is sourced from PubChem (CID 101358854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).