About bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));diperchlorate
bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));diperchlorate (PubChem CID 139114632) has the molecular formula C36H52Cl2Cu2N8O12
and a molecular weight of 986.85 g/mol. Its IUPAC name is bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));diperchlorate.
Molecular Properties
| Compound Name | bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));diperchlorate |
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| PubChem CID | 139114632 |
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| Molecular Formula | C36H52Cl2Cu2N8O12 |
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| Molecular Weight | 986.85 g/mol |
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| Exact Mass | 984.17 |
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| IUPAC Name | bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));diperchlorate |
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| 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.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-] |
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| InChI | InChI=1S/4C9H13N2O.2ClHO4.2Cu/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;2*(H,2,3,4,5);;/q2*-1;2*+1;;;2*+1/p-2 |
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| InChIKey | UMMBHHVHGKGLFT-UHFFFAOYSA-L |
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| XLogP | -0.57 |
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| TPSA | 328.80 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 18 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 60 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 986.85 |
| LogP ≤ 5 | -0.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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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+));diperchlorate?
The IUPAC name of bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));diperchlorate (CID 139114632) is bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));diperchlorate.
What is the SMILES notation for bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));diperchlorate?
The canonical SMILES for bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));diperchlorate 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.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));diperchlorate?
The InChIKey is UMMBHHVHGKGLFT-UHFFFAOYSA-L. The full InChI is InChI=1S/4C9H13N2O.2ClHO4.2Cu/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;2*(H,2,3,4,5);;/q2*-1;2*+1;;;2*+1/p-2.
What are the key properties of bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));diperchlorate?
bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));diperchlorate has a molecular weight of 986.85 g/mol, XLogP of -0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 18 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+));diperchlorate is sourced from PubChem (CID 139114632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).