About bis(N,N'-ditert-butylethanimidamide);nickel(2+)
bis(N,N'-ditert-butylethanimidamide);nickel(2+) (PubChem CID 159968934) has the molecular formula C20H44N4Ni+2
and a molecular weight of 399.29 g/mol. Its IUPAC name is bis(N,N'-ditert-butylethanimidamide);nickel(2+).
Molecular Properties
| Compound Name | bis(N,N'-ditert-butylethanimidamide);nickel(2+) |
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| PubChem CID | 159968934 |
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| Molecular Formula | C20H44N4Ni+2 |
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| Molecular Weight | 399.29 g/mol |
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| Exact Mass | 398.29 |
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| IUPAC Name | bis(N,N'-ditert-butylethanimidamide);nickel(2+) |
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| SMILES | C/C(=N\C(C)(C)C)NC(C)(C)C.C/C(=N\C(C)(C)C)NC(C)(C)C.[Ni+2] |
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| InChI | InChI=1S/2C10H22N2.Ni/c2*1-8(11-9(2,3)4)12-10(5,6)7;/h2*1-7H3,(H,11,12);/q;;+2 |
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| InChIKey | OEHCKTSEMNESJN-UHFFFAOYSA-N |
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| XLogP | 5.18 |
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| TPSA | 48.78 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 25 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 399.29 |
| LogP ≤ 5 | 5.18 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(N,N'-ditert-butylethanimidamide);nickel(2+)?
The IUPAC name of bis(N,N'-ditert-butylethanimidamide);nickel(2+) (CID 159968934) is bis(N,N'-ditert-butylethanimidamide);nickel(2+).
What is the SMILES notation for bis(N,N'-ditert-butylethanimidamide);nickel(2+)?
The canonical SMILES for bis(N,N'-ditert-butylethanimidamide);nickel(2+) is C/C(=N\C(C)(C)C)NC(C)(C)C.C/C(=N\C(C)(C)C)NC(C)(C)C.[Ni+2].
What is the InChIKey of bis(N,N'-ditert-butylethanimidamide);nickel(2+)?
The InChIKey is OEHCKTSEMNESJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H22N2.Ni/c2*1-8(11-9(2,3)4)12-10(5,6)7;/h2*1-7H3,(H,11,12);/q;;+2.
What are the key properties of bis(N,N'-ditert-butylethanimidamide);nickel(2+)?
bis(N,N'-ditert-butylethanimidamide);nickel(2+) has a molecular weight of 399.29 g/mol, XLogP of 5.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N'-ditert-butylethanimidamide);nickel(2+) is sourced from PubChem (CID 159968934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).