About N-[ditert-butyl(phenyl)silyl]-N-ethylethanamine
N-[ditert-butyl(phenyl)silyl]-N-ethylethanamine (PubChem CID 67342826) has the molecular formula C18H33NSi
and a molecular weight of 291.55 g/mol. Its IUPAC name is N-[ditert-butyl(phenyl)silyl]-N-ethylethanamine.
Molecular Properties
| Compound Name | N-[ditert-butyl(phenyl)silyl]-N-ethylethanamine |
| PubChem CID | 67342826 |
| Molecular Formula | C18H33NSi |
| Molecular Weight | 291.55 g/mol |
| Exact Mass | 291.24 |
| IUPAC Name | N-[ditert-butyl(phenyl)silyl]-N-ethylethanamine |
| SMILES | CCN(CC)[Si](c1ccccc1)(C(C)(C)C)C(C)(C)C |
| InChI | InChI=1S/C18H33NSi/c1-9-19(10-2)20(17(3,4)5,18(6,7)8)16-14-12-11-13-15-16/h11-15H,9-10H2,1-8H3 |
| InChIKey | GWZOLXSBTXYEEI-UHFFFAOYSA-N |
| XLogP | 4.78 |
| TPSA | 3.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 291.55 |
| LogP ≤ 5 | 4.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[ditert-butyl(phenyl)silyl]-N-ethylethanamine?
The IUPAC name of N-[ditert-butyl(phenyl)silyl]-N-ethylethanamine (CID 67342826) is N-[ditert-butyl(phenyl)silyl]-N-ethylethanamine.
What is the SMILES notation for N-[ditert-butyl(phenyl)silyl]-N-ethylethanamine?
The canonical SMILES for N-[ditert-butyl(phenyl)silyl]-N-ethylethanamine is CCN(CC)[Si](c1ccccc1)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[ditert-butyl(phenyl)silyl]-N-ethylethanamine?
The InChIKey is GWZOLXSBTXYEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NSi/c1-9-19(10-2)20(17(3,4)5,18(6,7)8)16-14-12-11-13-15-16/h11-15H,9-10H2,1-8H3.
What are the key properties of N-[ditert-butyl(phenyl)silyl]-N-ethylethanamine?
N-[ditert-butyl(phenyl)silyl]-N-ethylethanamine has a molecular weight of 291.55 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ditert-butyl(phenyl)silyl]-N-ethylethanamine is sourced from PubChem (CID 67342826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).