About (E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine
(E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine (PubChem CID 134933604) has the molecular formula C30H38N4
and a molecular weight of 454.66 g/mol. Its IUPAC name is (E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine.
Molecular Properties
| Compound Name | (E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine |
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| PubChem CID | 134933604 |
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| Molecular Formula | C30H38N4 |
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| Molecular Weight | 454.66 g/mol |
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| Exact Mass | 454.31 |
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| IUPAC Name | (E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine |
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| SMILES | N/C(=C/C(=N/N=C(/C=C(/N)C1CCCCC1)c1ccccc1)c1ccccc1)C1CCCCC1 |
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| InChI | InChI=1S/C30H38N4/c31-27(23-13-5-1-6-14-23)21-29(25-17-9-3-10-18-25)33-34-30(26-19-11-4-12-20-26)22-28(32)24-15-7-2-8-16-24/h3-4,9-12,17-24H,1-2,5-8,13-16,31-32H2/b27-21+,28-22+,33-29-,34-30- |
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| InChIKey | QGVWWXMBZANVRU-NGTNZIADSA-N |
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| XLogP | 6.73 |
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| TPSA | 76.76 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 454.66 |
| LogP ≤ 5 | 6.73 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Analyze (E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of (E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine?
The IUPAC name of (E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine (CID 134933604) is (E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine.
What is the SMILES notation for (E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine?
The canonical SMILES for (E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine is N/C(=C/C(=N/N=C(/C=C(/N)C1CCCCC1)c1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of (E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine?
The InChIKey is QGVWWXMBZANVRU-NGTNZIADSA-N. The full InChI is InChI=1S/C30H38N4/c31-27(23-13-5-1-6-14-23)21-29(25-17-9-3-10-18-25)33-34-30(26-19-11-4-12-20-26)22-28(32)24-15-7-2-8-16-24/h3-4,9-12,17-24H,1-2,5-8,13-16,31-32H2/b27-21+,28-22+,33-29-,34-30-.
What are the key properties of (E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine?
(E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine has a molecular weight of 454.66 g/mol, XLogP of 6.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine is sourced from PubChem (CID 134933604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).