About N-[(1Z)-1-[(2E)-2-ethylidene-5-methylidene-3-(methylideneamino)-4-(methyliminomethyl)cyclopent-3-en-1-ylidene]ethyl]ethanimine
N-[(1Z)-1-[(2E)-2-ethylidene-5-methylidene-3-(methylideneamino)-4-(methyliminomethyl)cyclopent-3-en-1-ylidene]ethyl]ethanimine (PubChem CID 146436776) has the molecular formula C15H19N3
and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(1Z)-1-[(2E)-2-ethylidene-5-methylidene-3-(methylideneamino)-4-(methyliminomethyl)cyclopent-3-en-1-ylidene]ethyl]ethanimine.
Molecular Properties
| Compound Name | N-[(1Z)-1-[(2E)-2-ethylidene-5-methylidene-3-(methylideneamino)-4-(methyliminomethyl)cyclopent-3-en-1-ylidene]ethyl]ethanimine |
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| PubChem CID | 146436776 |
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| Molecular Formula | C15H19N3 |
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| Molecular Weight | 241.34 g/mol |
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| Exact Mass | 241.16 |
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| IUPAC Name | N-[(1Z)-1-[(2E)-2-ethylidene-5-methylidene-3-(methylideneamino)-4-(methyliminomethyl)cyclopent-3-en-1-ylidene]ethyl]ethanimine |
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| SMILES | C=NC1=C(/C=N/C)C(=C)C(=C(C)/N=C/C)/C1=C\C |
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| InChI | InChI=1S/C15H19N3/c1-7-12-14(11(4)18-8-2)10(3)13(9-16-5)15(12)17-6/h7-9H,3,6H2,1-2,4-5H3/b12-7+,14-11-,16-9+,18-8+ |
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| InChIKey | AJAMJKPVXWIKGZ-ZFTIEILESA-N |
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| XLogP | 3.52 |
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| TPSA | 37.08 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 18 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 241.34 |
| LogP ≤ 5 | 3.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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 N-[(1Z)-1-[(2E)-2-ethylidene-5-methylidene-3-(methylideneamino)-4-(methyliminomethyl)cyclopent-3-en-1-ylidene]ethyl]ethanimine?
The IUPAC name of N-[(1Z)-1-[(2E)-2-ethylidene-5-methylidene-3-(methylideneamino)-4-(methyliminomethyl)cyclopent-3-en-1-ylidene]ethyl]ethanimine (CID 146436776) is N-[(1Z)-1-[(2E)-2-ethylidene-5-methylidene-3-(methylideneamino)-4-(methyliminomethyl)cyclopent-3-en-1-ylidene]ethyl]ethanimine.
What is the SMILES notation for N-[(1Z)-1-[(2E)-2-ethylidene-5-methylidene-3-(methylideneamino)-4-(methyliminomethyl)cyclopent-3-en-1-ylidene]ethyl]ethanimine?
The canonical SMILES for N-[(1Z)-1-[(2E)-2-ethylidene-5-methylidene-3-(methylideneamino)-4-(methyliminomethyl)cyclopent-3-en-1-ylidene]ethyl]ethanimine is C=NC1=C(/C=N/C)C(=C)C(=C(C)/N=C/C)/C1=C\C.
What is the InChIKey of N-[(1Z)-1-[(2E)-2-ethylidene-5-methylidene-3-(methylideneamino)-4-(methyliminomethyl)cyclopent-3-en-1-ylidene]ethyl]ethanimine?
The InChIKey is AJAMJKPVXWIKGZ-ZFTIEILESA-N. The full InChI is InChI=1S/C15H19N3/c1-7-12-14(11(4)18-8-2)10(3)13(9-16-5)15(12)17-6/h7-9H,3,6H2,1-2,4-5H3/b12-7+,14-11-,16-9+,18-8+.
What are the key properties of N-[(1Z)-1-[(2E)-2-ethylidene-5-methylidene-3-(methylideneamino)-4-(methyliminomethyl)cyclopent-3-en-1-ylidene]ethyl]ethanimine?
N-[(1Z)-1-[(2E)-2-ethylidene-5-methylidene-3-(methylideneamino)-4-(methyliminomethyl)cyclopent-3-en-1-ylidene]ethyl]ethanimine has a molecular weight of 241.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-[(2E)-2-ethylidene-5-methylidene-3-(methylideneamino)-4-(methyliminomethyl)cyclopent-3-en-1-ylidene]ethyl]ethanimine is sourced from PubChem (CID 146436776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).