(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine

C₁₇H₁₉FN₂ — CID 121321882

About (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine

(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine (PubChem CID 121321882) has the molecular formula C₁₇H₁₉FN₂ and a molecular weight of 270.35 g/mol. Its IUPAC name is (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine.

Molecular Properties

• Compound Name: (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine
• PubChem CID: 121321882
• Molecular Formula: C₁₇H₁₉FN₂
• Molecular Weight: 270.35 g/mol
• Exact Mass: 270.15
• IUPAC Name: (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine
• SMILES: C=C/C(F)=C\C=C(/C)c1cc/c(=C/C=C\CN)c(=C)n1
• InChI: InChI=1S/C17H19FN2/c1-4-16(18)10-8-13(2)17-11-9-15(14(3)20-17)7-5-6-12-19/h4-11H,1,3,12,19H2,2H3/b6-5-,13-8+,15-7-,16-10+
• InChIKey: ZTRYVDAVDCQQQF-RUAJWXKMSA-N
• XLogP: 2.23
• TPSA: 38.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.35
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine?

The IUPAC name of (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine (CID 121321882) is (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine.

What is the SMILES notation for (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine?

The canonical SMILES for (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine is C=C/C(F)=C\C=C(/C)c1cc/c(=C/C=C\CN)c(=C)n1.

What is the InChIKey of (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine?

The InChIKey is ZTRYVDAVDCQQQF-RUAJWXKMSA-N. The full InChI is InChI=1S/C17H19FN2/c1-4-16(18)10-8-13(2)17-11-9-15(14(3)20-17)7-5-6-12-19/h4-11H,1,3,12,19H2,2H3/b6-5-,13-8+,15-7-,16-10+.

What are the key properties of (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine?

(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine has a molecular weight of 270.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine is sourced from PubChem (CID 121321882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121321882 — identifiers, structure, computed properties (public domain)

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