About bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));ditetrafluoroborate
bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));ditetrafluoroborate (PubChem CID 139114631) has the molecular formula C36H52B2Cu2F8N8O4
and a molecular weight of 961.56 g/mol. Its IUPAC name is bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));ditetrafluoroborate.
Molecular Properties
| Compound Name | bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));ditetrafluoroborate |
|---|
| PubChem CID | 139114631 |
|---|
| Molecular Formula | C36H52B2Cu2F8N8O4 |
|---|
| Molecular Weight | 961.56 g/mol |
|---|
| Exact Mass | 960.28 |
|---|
| IUPAC Name | bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));ditetrafluoroborate |
|---|
| SMILES | CC(C)(C)N([O-])c1ccccn1.CC(C)(C)N([O-])c1ccccn1.CC(C)(C)[N+](=O)c1ccccn1.CC(C)(C)[N+](=O)c1ccccn1.F[B-](F)(F)F.F[B-](F)(F)F.[Cu+].[Cu+] |
|---|
| InChI | InChI=1S/4C9H13N2O.2BF4.2Cu/c4*1-9(2,3)11(12)8-6-4-5-7-10-8;2*2-1(3,4)5;;/h4*4-7H,1-3H3;;;;/q2*-1;2*+1;2*-1;2*+1 |
|---|
| InChIKey | GWMYTDLZZDORSQ-UHFFFAOYSA-N |
|---|
| XLogP | 11.54 |
|---|
| TPSA | 144.32 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 10 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 60 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 961.56 |
| LogP ≤ 5 | 11.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
|---|
Analyze bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));ditetrafluoroborate 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 bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));ditetrafluoroborate?
The IUPAC name of bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));ditetrafluoroborate (CID 139114631) is bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));ditetrafluoroborate.
What is the SMILES notation for bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));ditetrafluoroborate?
The canonical SMILES for bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));ditetrafluoroborate is CC(C)(C)N([O-])c1ccccn1.CC(C)(C)N([O-])c1ccccn1.CC(C)(C)[N+](=O)c1ccccn1.CC(C)(C)[N+](=O)c1ccccn1.F[B-](F)(F)F.F[B-](F)(F)F.[Cu+].[Cu+].
What is the InChIKey of bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));ditetrafluoroborate?
The InChIKey is GWMYTDLZZDORSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H13N2O.2BF4.2Cu/c4*1-9(2,3)11(12)8-6-4-5-7-10-8;2*2-1(3,4)5;;/h4*4-7H,1-3H3;;;;/q2*-1;2*+1;2*-1;2*+1.
What are the key properties of bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));ditetrafluoroborate?
bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));ditetrafluoroborate has a molecular weight of 961.56 g/mol, XLogP of 11.54, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));ditetrafluoroborate is sourced from PubChem (CID 139114631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).