(3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine

C₁₅H₂₅FN₂ — CID 177018825

About (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine

(3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine (PubChem CID 177018825) has the molecular formula C₁₅H₂₅FN₂ and a molecular weight of 252.38 g/mol. Its IUPAC name is (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine.

Molecular Properties

• Compound Name: (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine
• PubChem CID: 177018825
• Molecular Formula: C₁₅H₂₅FN₂
• Molecular Weight: 252.38 g/mol
• Exact Mass: 252.20
• IUPAC Name: (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine
• SMILES: C/C=N/C(C)=C(C(\N)=C(/C)CC)/C(F)=C\CCC
• InChI: InChI=1S/C15H25FN2/c1-6-9-10-13(16)14(12(5)18-8-3)15(17)11(4)7-2/h8,10H,6-7,9,17H2,1-5H3/b13-10+,14-12-,15-11-,18-8+
• InChIKey: ZBQACNRJJJJADM-FXYQKBEGSA-N
• XLogP: 4.65
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.38
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine?

The IUPAC name of (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine (CID 177018825) is (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine.

What is the SMILES notation for (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine?

The canonical SMILES for (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine is C/C=N/C(C)=C(C(\N)=C(/C)CC)/C(F)=C\CCC.

What is the InChIKey of (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine?

The InChIKey is ZBQACNRJJJJADM-FXYQKBEGSA-N. The full InChI is InChI=1S/C15H25FN2/c1-6-9-10-13(16)14(12(5)18-8-3)15(17)11(4)7-2/h8,10H,6-7,9,17H2,1-5H3/b13-10+,14-12-,15-11-,18-8+.

What are the key properties of (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine?

(3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine has a molecular weight of 252.38 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine is sourced from PubChem (CID 177018825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177018825 — identifiers, structure, computed properties (public domain)

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