(4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine;1-fluorohexane

C26H45FN4 — CID 166548751

About (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine;1-fluorohexane

(4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine;1-fluorohexane (PubChem CID 166548751) has the molecular formula C26H45FN4 and a molecular weight of 432.67 g/mol. Its IUPAC name is (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine;1-fluorohexane.

Molecular Properties

• Compound Name: (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine;1-fluorohexane
• PubChem CID: 166548751
• Molecular Formula: C26H45FN4
• Molecular Weight: 432.67 g/mol
• Exact Mass: 432.36
• IUPAC Name: (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine;1-fluorohexane
• SMILES: C/C=c1/c(C)nnc(NC)/c1=C/C(=C/CC)N1CCC1(CC)CC.CCCCCCF
• InChI: InChI=1S/C20H32N4.C6H13F/c1-7-11-16(24-13-12-20(24,9-3)10-4)14-18-17(8-2)15(5)22-23-19(18)21-6;1-2-3-4-5-6-7/h8,11,14H,7,9-10,12-13H2,1-6H3,(H,21,23);2-6H2,1H3/b16-11-,17-8-,18-14+
• InChIKey: RDVWIXFZEWQEMI-BUYGBJSMSA-N
• XLogP: 5.50
• TPSA: 41.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.67
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine;1-fluorohexane?

The IUPAC name of (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine;1-fluorohexane (CID 166548751) is (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine;1-fluorohexane.

What is the SMILES notation for (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine;1-fluorohexane?

The canonical SMILES for (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine;1-fluorohexane is C/C=c1/c(C)nnc(NC)/c1=C/C(=C/CC)N1CCC1(CC)CC.CCCCCCF.

What is the InChIKey of (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine;1-fluorohexane?

The InChIKey is RDVWIXFZEWQEMI-BUYGBJSMSA-N. The full InChI is InChI=1S/C20H32N4.C6H13F/c1-7-11-16(24-13-12-20(24,9-3)10-4)14-18-17(8-2)15(5)22-23-19(18)21-6;1-2-3-4-5-6-7/h8,11,14H,7,9-10,12-13H2,1-6H3,(H,21,23);2-6H2,1H3/b16-11-,17-8-,18-14+;.

What are the key properties of (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine;1-fluorohexane?

(4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine;1-fluorohexane has a molecular weight of 432.67 g/mol, XLogP of 5.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine;1-fluorohexane is sourced from PubChem (CID 166548751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).