About (E)-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine
(E)-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine (PubChem CID 139078402) has the molecular formula C20H28N2
and a molecular weight of 296.46 g/mol. Its IUPAC name is (E)-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine.
Molecular Properties
| Compound Name | (E)-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine |
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| PubChem CID | 139078402 |
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| Molecular Formula | C20H28N2 |
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| Molecular Weight | 296.46 g/mol |
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| Exact Mass | 296.23 |
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| IUPAC Name | (E)-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine |
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| SMILES | C=C(C)[C@@H]1CC=C(/C=N/N=C/C2=CC[C@@H](C(=C)C)CC2)CC1 |
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| InChI | InChI=1S/C20H28N2/c1-15(2)19-9-5-17(6-10-19)13-21-22-14-18-7-11-20(12-8-18)16(3)4/h5,7,13-14,19-20H,1,3,6,8-12H2,2,4H3/b21-13+,22-14+/t19-,20-/m1/s1 |
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| InChIKey | SRZSCWRPNPXZOA-CJMUASQQSA-N |
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| XLogP | 5.65 |
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| TPSA | 24.72 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 22 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 296.46 |
| LogP ≤ 5 | 5.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Analyze (E)-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine with MolForge
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Frequently Asked Questions
What is the IUPAC name of (E)-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine?
The IUPAC name of (E)-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine (CID 139078402) is (E)-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine.
What is the SMILES notation for (E)-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine?
The canonical SMILES for (E)-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine is C=C(C)[C@@H]1CC=C(/C=N/N=C/C2=CC[C@@H](C(=C)C)CC2)CC1.
What is the InChIKey of (E)-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine?
The InChIKey is SRZSCWRPNPXZOA-CJMUASQQSA-N. The full InChI is InChI=1S/C20H28N2/c1-15(2)19-9-5-17(6-10-19)13-21-22-14-18-7-11-20(12-8-18)16(3)4/h5,7,13-14,19-20H,1,3,6,8-12H2,2,4H3/b21-13+,22-14+/t19-,20-/m1/s1.
What are the key properties of (E)-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine?
(E)-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine has a molecular weight of 296.46 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine is sourced from PubChem (CID 139078402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).