About N-t-butyl-N-methylaminoborane
N-t-butyl-N-methylaminoborane (PubChem CID 59166001) has the molecular formula C5H12BN
and a molecular weight of 96.97 g/mol.
Molecular Properties
| Compound Name | N-t-butyl-N-methylaminoborane |
|---|
| PubChem CID | 59166001 |
|---|
| Molecular Formula | C5H12BN |
|---|
| Molecular Weight | 96.97 g/mol |
|---|
| Exact Mass | 97.11 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [B]N(C)C(C)(C)C |
|---|
| InChI | InChI=1S/C5H12BN/c1-5(2,3)7(4)6/h1-4H3 |
|---|
| InChIKey | PTPXDNUOBYKJGL-UHFFFAOYSA-N |
|---|
| XLogP | 0.80 |
|---|
| TPSA | 3.24 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 7 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 96.97 |
| LogP ≤ 5 | 0.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze N-t-butyl-N-methylaminoborane 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-t-butyl-N-methylaminoborane?
The IUPAC name of N-t-butyl-N-methylaminoborane (CID 59166001) is not available.
What is the SMILES notation for N-t-butyl-N-methylaminoborane?
The canonical SMILES for N-t-butyl-N-methylaminoborane is [B]N(C)C(C)(C)C.
What is the InChIKey of N-t-butyl-N-methylaminoborane?
The InChIKey is PTPXDNUOBYKJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BN/c1-5(2,3)7(4)6/h1-4H3.
What are the key properties of N-t-butyl-N-methylaminoborane?
N-t-butyl-N-methylaminoborane has a molecular weight of 96.97 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-t-butyl-N-methylaminoborane is sourced from PubChem (CID 59166001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).