About N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine
N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine (PubChem CID 154123100) has the molecular formula C16H37NSi2
and a molecular weight of 299.65 g/mol. Its IUPAC name is N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine.
Molecular Properties
| Compound Name | N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine |
| PubChem CID | 154123100 |
| Molecular Formula | C16H37NSi2 |
| Molecular Weight | 299.65 g/mol |
| Exact Mass | 299.25 |
| IUPAC Name | N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine |
| SMILES | CC[Si](CC)(CC)CCCCNCC[SiH2]C=C(C)C |
| InChI | InChI=1S/C16H37NSi2/c1-6-19(7-2,8-3)14-10-9-11-17-12-13-18-15-16(4)5/h15,17H,6-14,18H2,1-5H3 |
| InChIKey | RZCDEOLMNCZWQC-UHFFFAOYSA-N |
| XLogP | 4.38 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 299.65 |
| LogP ≤ 5 | 4.38 |
| 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'} |
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Frequently Asked Questions
What is the IUPAC name of N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine?
The IUPAC name of N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine (CID 154123100) is N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine.
What is the SMILES notation for N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine?
The canonical SMILES for N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine is CC[Si](CC)(CC)CCCCNCC[SiH2]C=C(C)C.
What is the InChIKey of N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine?
The InChIKey is RZCDEOLMNCZWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37NSi2/c1-6-19(7-2,8-3)14-10-9-11-17-12-13-18-15-16(4)5/h15,17H,6-14,18H2,1-5H3.
What are the key properties of N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine?
N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine has a molecular weight of 299.65 g/mol, XLogP of 4.38, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine is sourced from PubChem (CID 154123100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).