About (E)-N-[[3-[[(4-ethenylphenyl)-dimethylsilyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine
(E)-N-[[3-[[(4-ethenylphenyl)-dimethylsilyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine (PubChem CID 10411264) has the molecular formula C29H39NOSi
and a molecular weight of 445.72 g/mol. Its IUPAC name is (E)-N-[[3-[[(4-ethenylphenyl)-dimethylsilyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine.
Molecular Properties
| Compound Name | (E)-N-[[3-[[(4-ethenylphenyl)-dimethylsilyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine |
|---|
| PubChem CID | 10411264 |
|---|
| Molecular Formula | C29H39NOSi |
|---|
| Molecular Weight | 445.72 g/mol |
|---|
| Exact Mass | 445.28 |
|---|
| IUPAC Name | (E)-N-[[3-[[(4-ethenylphenyl)-dimethylsilyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine |
|---|
| SMILES | C=Cc1ccc([Si](C)(C)COc2cccc(CN(CC)C/C=C/C#CC(C)(C)C)c2)cc1 |
|---|
| InChI | InChI=1S/C29H39NOSi/c1-8-25-16-18-28(19-17-25)32(6,7)24-31-27-15-13-14-26(22-27)23-30(9-2)21-12-10-11-20-29(3,4)5/h8,10,12-19,22H,1,9,21,23-24H2,2-7H3/b12-10+ |
|---|
| InChIKey | FZWMSYRZGDMOJT-ZRDIBKRKSA-N |
|---|
| XLogP | 6.29 |
|---|
| TPSA | 12.47 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 32 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 445.72 |
| LogP ≤ 5 | 6.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Analyze (E)-N-[[3-[[(4-ethenylphenyl)-dimethylsilyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-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 (E)-N-[[3-[[(4-ethenylphenyl)-dimethylsilyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine?
The IUPAC name of (E)-N-[[3-[[(4-ethenylphenyl)-dimethylsilyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine (CID 10411264) is (E)-N-[[3-[[(4-ethenylphenyl)-dimethylsilyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine.
What is the SMILES notation for (E)-N-[[3-[[(4-ethenylphenyl)-dimethylsilyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine?
The canonical SMILES for (E)-N-[[3-[[(4-ethenylphenyl)-dimethylsilyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine is C=Cc1ccc([Si](C)(C)COc2cccc(CN(CC)C/C=C/C#CC(C)(C)C)c2)cc1.
What is the InChIKey of (E)-N-[[3-[[(4-ethenylphenyl)-dimethylsilyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine?
The InChIKey is FZWMSYRZGDMOJT-ZRDIBKRKSA-N. The full InChI is InChI=1S/C29H39NOSi/c1-8-25-16-18-28(19-17-25)32(6,7)24-31-27-15-13-14-26(22-27)23-30(9-2)21-12-10-11-20-29(3,4)5/h8,10,12-19,22H,1,9,21,23-24H2,2-7H3/b12-10+.
What are the key properties of (E)-N-[[3-[[(4-ethenylphenyl)-dimethylsilyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine?
(E)-N-[[3-[[(4-ethenylphenyl)-dimethylsilyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine has a molecular weight of 445.72 g/mol, XLogP of 6.29, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[3-[[(4-ethenylphenyl)-dimethylsilyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine is sourced from PubChem (CID 10411264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).