About N-tert-butyl-N,N'-dimethylethanimidamide
N-tert-butyl-N,N'-dimethylethanimidamide (PubChem CID 20806828) has the molecular formula C8H18N2
and a molecular weight of 142.25 g/mol. Its IUPAC name is N-tert-butyl-N,N'-dimethylethanimidamide.
Molecular Properties
| Compound Name | N-tert-butyl-N,N'-dimethylethanimidamide |
|---|
| PubChem CID | 20806828 |
|---|
| Molecular Formula | C8H18N2 |
|---|
| Molecular Weight | 142.25 g/mol |
|---|
| Exact Mass | 142.15 |
|---|
| IUPAC Name | N-tert-butyl-N,N'-dimethylethanimidamide |
|---|
| SMILES | C/N=C(\C)N(C)C(C)(C)C |
|---|
| InChI | InChI=1S/C8H18N2/c1-7(9-5)10(6)8(2,3)4/h1-6H3/b9-7+ |
|---|
| InChIKey | IDNJMEGRIVQFBR-VQHVLOKHSA-N |
|---|
| XLogP | 1.76 |
|---|
| TPSA | 15.60 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 142.25 |
| LogP ≤ 5 | 1.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
|---|
Analyze N-tert-butyl-N,N'-dimethylethanimidamide 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-tert-butyl-N,N'-dimethylethanimidamide?
The IUPAC name of N-tert-butyl-N,N'-dimethylethanimidamide (CID 20806828) is N-tert-butyl-N,N'-dimethylethanimidamide.
What is the SMILES notation for N-tert-butyl-N,N'-dimethylethanimidamide?
The canonical SMILES for N-tert-butyl-N,N'-dimethylethanimidamide is C/N=C(\C)N(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,N'-dimethylethanimidamide?
The InChIKey is IDNJMEGRIVQFBR-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H18N2/c1-7(9-5)10(6)8(2,3)4/h1-6H3/b9-7+.
What are the key properties of N-tert-butyl-N,N'-dimethylethanimidamide?
N-tert-butyl-N,N'-dimethylethanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,N'-dimethylethanimidamide is sourced from PubChem (CID 20806828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).