About N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine
N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine (PubChem CID 86095281) has the molecular formula C14H31NSi2
and a molecular weight of 269.58 g/mol. Its IUPAC name is N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine.
Molecular Properties
| Compound Name | N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine |
| PubChem CID | 86095281 |
| Molecular Formula | C14H31NSi2 |
| Molecular Weight | 269.58 g/mol |
| Exact Mass | 269.20 |
| IUPAC Name | N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine |
| SMILES | CCN(CC)[Si](C#CC[Si](C)(C)C)(CC)CC |
| InChI | InChI=1S/C14H31NSi2/c1-8-15(9-2)17(10-3,11-4)14-12-13-16(5,6)7/h8-11,13H2,1-7H3 |
| InChIKey | MLISYZSWVXLXPV-UHFFFAOYSA-N |
| XLogP | 4.19 |
| TPSA | 3.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 269.58 |
| LogP ≤ 5 | 4.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Analyze N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine 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-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine?
The IUPAC name of N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine (CID 86095281) is N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine.
What is the SMILES notation for N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine?
The canonical SMILES for N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine is CCN(CC)[Si](C#CC[Si](C)(C)C)(CC)CC.
What is the InChIKey of N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine?
The InChIKey is MLISYZSWVXLXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NSi2/c1-8-15(9-2)17(10-3,11-4)14-12-13-16(5,6)7/h8-11,13H2,1-7H3.
What are the key properties of N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine?
N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine has a molecular weight of 269.58 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine is sourced from PubChem (CID 86095281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).