About N-[butyl(dimethoxy)silyl]-N-propan-2-ylpropan-2-amine
N-[butyl(dimethoxy)silyl]-N-propan-2-ylpropan-2-amine (PubChem CID 87634740) has the molecular formula C12H29NO2Si
and a molecular weight of 247.45 g/mol. Its IUPAC name is N-[butyl(dimethoxy)silyl]-N-propan-2-ylpropan-2-amine.
Molecular Properties
| Compound Name | N-[butyl(dimethoxy)silyl]-N-propan-2-ylpropan-2-amine |
| PubChem CID | 87634740 |
| Molecular Formula | C12H29NO2Si |
| Molecular Weight | 247.45 g/mol |
| Exact Mass | 247.20 |
| IUPAC Name | N-[butyl(dimethoxy)silyl]-N-propan-2-ylpropan-2-amine |
| SMILES | CCCC[Si](OC)(OC)N(C(C)C)C(C)C |
| InChI | InChI=1S/C12H29NO2Si/c1-8-9-10-16(14-6,15-7)13(11(2)3)12(4)5/h11-12H,8-10H2,1-7H3 |
| InChIKey | ALBNBFNUOAXXRF-UHFFFAOYSA-N |
| XLogP | 3.14 |
| TPSA | 21.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 247.45 |
| LogP ≤ 5 | 3.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze N-[butyl(dimethoxy)silyl]-N-propan-2-ylpropan-2-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 N-[butyl(dimethoxy)silyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[butyl(dimethoxy)silyl]-N-propan-2-ylpropan-2-amine (CID 87634740) is N-[butyl(dimethoxy)silyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[butyl(dimethoxy)silyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[butyl(dimethoxy)silyl]-N-propan-2-ylpropan-2-amine is CCCC[Si](OC)(OC)N(C(C)C)C(C)C.
What is the InChIKey of N-[butyl(dimethoxy)silyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is ALBNBFNUOAXXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO2Si/c1-8-9-10-16(14-6,15-7)13(11(2)3)12(4)5/h11-12H,8-10H2,1-7H3.
What are the key properties of N-[butyl(dimethoxy)silyl]-N-propan-2-ylpropan-2-amine?
N-[butyl(dimethoxy)silyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 247.45 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl(dimethoxy)silyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 87634740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).