About (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine
(Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine (PubChem CID 155441645) has the molecular formula C25H43F2N
and a molecular weight of 395.62 g/mol. Its IUPAC name is (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine.
Molecular Properties
| Compound Name | (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine |
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| PubChem CID | 155441645 |
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| Molecular Formula | C25H43F2N |
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| Molecular Weight | 395.62 g/mol |
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| Exact Mass | 395.34 |
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| IUPAC Name | (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine |
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| SMILES | C=C(CCC)/N=C(/C=C(\C=C/C(C)CC)C(CCCC)CCCCC)C(F)F |
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| InChI | InChI=1S/C25H43F2N/c1-7-11-13-16-22(15-12-8-2)23(18-17-20(5)10-4)19-24(25(26)27)28-21(6)14-9-3/h17-20,22,25H,6-16H2,1-5H3/b18-17-,23-19+,28-24- |
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| InChIKey | NNHQDKMYAWYVSP-KGUWVATOSA-N |
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| XLogP | 8.92 |
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| TPSA | 12.36 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 16 |
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| Heavy Atoms | 28 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 395.62 |
| LogP ≤ 5 | 8.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine?
The IUPAC name of (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine (CID 155441645) is (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine.
What is the SMILES notation for (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine?
The canonical SMILES for (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine is C=C(CCC)/N=C(/C=C(\C=C/C(C)CC)C(CCCC)CCCCC)C(F)F.
What is the InChIKey of (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine?
The InChIKey is NNHQDKMYAWYVSP-KGUWVATOSA-N. The full InChI is InChI=1S/C25H43F2N/c1-7-11-13-16-22(15-12-8-2)23(18-17-20(5)10-4)19-24(25(26)27)28-21(6)14-9-3/h17-20,22,25H,6-16H2,1-5H3/b18-17-,23-19+,28-24-.
What are the key properties of (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine?
(Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine has a molecular weight of 395.62 g/mol, XLogP of 8.92, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine is sourced from PubChem (CID 155441645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).