About dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide) (PubChem CID 139121717) has the molecular formula C32H60Cu2N8
and a molecular weight of 683.98 g/mol. Its IUPAC name is dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide).
Molecular Properties
| Compound Name | dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide) |
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| PubChem CID | 139121717 |
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| Molecular Formula | C32H60Cu2N8 |
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| Molecular Weight | 683.98 g/mol |
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| Exact Mass | 682.35 |
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| IUPAC Name | dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide) |
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| SMILES | CC/N=C(C)/C=C(/C)[N-]C.CC[N-]/C(C)=C\C(C)=N\C.CC[N-]/C(C)=C\C(C)=N\C.CC[N-]/C(C)=C\C(C)=N\C.[Cu+2].[Cu+2] |
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| InChI | InChI=1S/4C8H15N2.2Cu/c4*1-5-10-8(3)6-7(2)9-4;;/h4*6H,5H2,1-4H3;;/q4*-1;2*+2/b3*8-6-,9-7+;7-6-,10-8+;; |
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| InChIKey | VZAGIKLIRKIEIJ-SSHFMYIGSA-N |
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| XLogP | 9.49 |
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| TPSA | 105.84 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 683.98 |
| LogP ≤ 5 | 9.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)?
The IUPAC name of dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide) (CID 139121717) is dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide).
What is the SMILES notation for dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)?
The canonical SMILES for dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide) is CC/N=C(C)/C=C(/C)[N-]C.CC[N-]/C(C)=C\C(C)=N\C.CC[N-]/C(C)=C\C(C)=N\C.CC[N-]/C(C)=C\C(C)=N\C.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)?
The InChIKey is VZAGIKLIRKIEIJ-SSHFMYIGSA-N. The full InChI is InChI=1S/4C8H15N2.2Cu/c4*1-5-10-8(3)6-7(2)9-4;;/h4*6H,5H2,1-4H3;;/q4*-1;2*+2/b3*8-6-,9-7+;7-6-,10-8+;;.
What are the key properties of dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)?
dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide) has a molecular weight of 683.98 g/mol, XLogP of 9.49, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide) is sourced from PubChem (CID 139121717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).