(2Z,5Z)-3-[1-(2,4-difluorophenyl)ethenyl]-7-methyl-4-methylimino-N-(2-methylpentan-2-yl)octa-2,5,7-trien-2-amine

C24H32F2N2 — CID 143420668

About (2Z,5Z)-3-[1-(2,4-difluorophenyl)ethenyl]-7-methyl-4-methylimino-N-(2-methylpentan-2-yl)octa-2,5,7-trien-2-amine

(2Z,5Z)-3-[1-(2,4-difluorophenyl)ethenyl]-7-methyl-4-methylimino-N-(2-methylpentan-2-yl)octa-2,5,7-trien-2-amine (PubChem CID 143420668) has the molecular formula C24H32F2N2 and a molecular weight of 386.53 g/mol. Its IUPAC name is (2Z,5Z)-3-[1-(2,4-difluorophenyl)ethenyl]-7-methyl-4-methylimino-N-(2-methylpentan-2-yl)octa-2,5,7-trien-2-amine.

Molecular Properties

• Compound Name: (2Z,5Z)-3-[1-(2,4-difluorophenyl)ethenyl]-7-methyl-4-methylimino-N-(2-methylpentan-2-yl)octa-2,5,7-trien-2-amine
• PubChem CID: 143420668
• Molecular Formula: C24H32F2N2
• Molecular Weight: 386.53 g/mol
• Exact Mass: 386.25
• IUPAC Name: (2Z,5Z)-3-[1-(2,4-difluorophenyl)ethenyl]-7-methyl-4-methylimino-N-(2-methylpentan-2-yl)octa-2,5,7-trien-2-amine
• SMILES: C=C(C)/C=C\C(=N\C)\C(C(=C)c1ccc(F)cc1F)=C(\C)NC(C)(C)CCC
• InChI: InChI=1S/C24H32F2N2/c1-9-14-24(6,7)28-18(5)23(22(27-8)13-10-16(2)3)17(4)20-12-11-19(25)15-21(20)26/h10-13,15,28H,2,4,9,14H2,1,3,5-8H3/b13-10-,23-18-,27-22-
• InChIKey: SWGZALXKWZAZAP-DXHHJXSDSA-N
• XLogP: 6.62
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.53
LogP ≤ 5	6.62
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 (2Z,5Z)-3-[1-(2,4-difluorophenyl)ethenyl]-7-methyl-4-methylimino-N-(2-methylpentan-2-yl)octa-2,5,7-trien-2-amine?

The IUPAC name of (2Z,5Z)-3-[1-(2,4-difluorophenyl)ethenyl]-7-methyl-4-methylimino-N-(2-methylpentan-2-yl)octa-2,5,7-trien-2-amine (CID 143420668) is (2Z,5Z)-3-[1-(2,4-difluorophenyl)ethenyl]-7-methyl-4-methylimino-N-(2-methylpentan-2-yl)octa-2,5,7-trien-2-amine.

What is the SMILES notation for (2Z,5Z)-3-[1-(2,4-difluorophenyl)ethenyl]-7-methyl-4-methylimino-N-(2-methylpentan-2-yl)octa-2,5,7-trien-2-amine?

The canonical SMILES for (2Z,5Z)-3-[1-(2,4-difluorophenyl)ethenyl]-7-methyl-4-methylimino-N-(2-methylpentan-2-yl)octa-2,5,7-trien-2-amine is C=C(C)/C=C\C(=N\C)\C(C(=C)c1ccc(F)cc1F)=C(\C)NC(C)(C)CCC.

What is the InChIKey of (2Z,5Z)-3-[1-(2,4-difluorophenyl)ethenyl]-7-methyl-4-methylimino-N-(2-methylpentan-2-yl)octa-2,5,7-trien-2-amine?

The InChIKey is SWGZALXKWZAZAP-DXHHJXSDSA-N. The full InChI is InChI=1S/C24H32F2N2/c1-9-14-24(6,7)28-18(5)23(22(27-8)13-10-16(2)3)17(4)20-12-11-19(25)15-21(20)26/h10-13,15,28H,2,4,9,14H2,1,3,5-8H3/b13-10-,23-18-,27-22-.

What are the key properties of (2Z,5Z)-3-[1-(2,4-difluorophenyl)ethenyl]-7-methyl-4-methylimino-N-(2-methylpentan-2-yl)octa-2,5,7-trien-2-amine?

(2Z,5Z)-3-[1-(2,4-difluorophenyl)ethenyl]-7-methyl-4-methylimino-N-(2-methylpentan-2-yl)octa-2,5,7-trien-2-amine has a molecular weight of 386.53 g/mol, XLogP of 6.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-3-[1-(2,4-difluorophenyl)ethenyl]-7-methyl-4-methylimino-N-(2-methylpentan-2-yl)octa-2,5,7-trien-2-amine is sourced from PubChem (CID 143420668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).