(E)-2-[(E)-2-[4-[(Z)-2-(1-cyclopentylbutan-2-yl)pent-2-enylidene]cyclohexyl]-3,3,3-trifluoroprop-1-enyl]-N'-ethylprop-1-ene-1,3-diamine

C28H45F3N2 — CID 129169719

About (E)-2-[(E)-2-[4-[(Z)-2-(1-cyclopentylbutan-2-yl)pent-2-enylidene]cyclohexyl]-3,3,3-trifluoroprop-1-enyl]-N'-ethylprop-1-ene-1,3-diamine

(E)-2-[(E)-2-[4-[(Z)-2-(1-cyclopentylbutan-2-yl)pent-2-enylidene]cyclohexyl]-3,3,3-trifluoroprop-1-enyl]-N'-ethylprop-1-ene-1,3-diamine (PubChem CID 129169719) has the molecular formula C28H45F3N2 and a molecular weight of 466.68 g/mol. Its IUPAC name is (E)-2-[(E)-2-[4-[(Z)-2-(1-cyclopentylbutan-2-yl)pent-2-enylidene]cyclohexyl]-3,3,3-trifluoroprop-1-enyl]-N'-ethylprop-1-ene-1,3-diamine.

Molecular Properties

• Compound Name: (E)-2-[(E)-2-[4-[(Z)-2-(1-cyclopentylbutan-2-yl)pent-2-enylidene]cyclohexyl]-3,3,3-trifluoroprop-1-enyl]-N'-ethylprop-1-ene-1,3-diamine
• PubChem CID: 129169719
• Molecular Formula: C28H45F3N2
• Molecular Weight: 466.68 g/mol
• Exact Mass: 466.35
• IUPAC Name: (E)-2-[(E)-2-[4-[(Z)-2-(1-cyclopentylbutan-2-yl)pent-2-enylidene]cyclohexyl]-3,3,3-trifluoroprop-1-enyl]-N'-ethylprop-1-ene-1,3-diamine
• SMILES: CC/C=C(\C=C1CCC(/C(=C\C(=C/N)CNCC)C(F)(F)F)CC1)C(CC)CC1CCCC1
• InChI: InChI=1S/C28H45F3N2/c1-4-9-26(24(5-2)16-21-10-7-8-11-21)17-22-12-14-25(15-13-22)27(28(29,30)31)18-23(19-32)20-33-6-3/h9,17-19,21,24-25,33H,4-8,10-16,20,32H2,1-3H3/b22-17-,23-19+,26-9+,27-18+
• InChIKey: WDGKQRSYCYYOKW-LOTISGIDSA-N
• XLogP: 7.99
• TPSA: 38.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.68
LogP ≤ 5	7.99
H-Bond Donors ≤ 5	2
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 (E)-2-[(E)-2-[4-[(Z)-2-(1-cyclopentylbutan-2-yl)pent-2-enylidene]cyclohexyl]-3,3,3-trifluoroprop-1-enyl]-N'-ethylprop-1-ene-1,3-diamine?

The IUPAC name of (E)-2-[(E)-2-[4-[(Z)-2-(1-cyclopentylbutan-2-yl)pent-2-enylidene]cyclohexyl]-3,3,3-trifluoroprop-1-enyl]-N'-ethylprop-1-ene-1,3-diamine (CID 129169719) is (E)-2-[(E)-2-[4-[(Z)-2-(1-cyclopentylbutan-2-yl)pent-2-enylidene]cyclohexyl]-3,3,3-trifluoroprop-1-enyl]-N'-ethylprop-1-ene-1,3-diamine.

What is the SMILES notation for (E)-2-[(E)-2-[4-[(Z)-2-(1-cyclopentylbutan-2-yl)pent-2-enylidene]cyclohexyl]-3,3,3-trifluoroprop-1-enyl]-N'-ethylprop-1-ene-1,3-diamine?

The canonical SMILES for (E)-2-[(E)-2-[4-[(Z)-2-(1-cyclopentylbutan-2-yl)pent-2-enylidene]cyclohexyl]-3,3,3-trifluoroprop-1-enyl]-N'-ethylprop-1-ene-1,3-diamine is CC/C=C(\C=C1CCC(/C(=C\C(=C/N)CNCC)C(F)(F)F)CC1)C(CC)CC1CCCC1.

What is the InChIKey of (E)-2-[(E)-2-[4-[(Z)-2-(1-cyclopentylbutan-2-yl)pent-2-enylidene]cyclohexyl]-3,3,3-trifluoroprop-1-enyl]-N'-ethylprop-1-ene-1,3-diamine?

The InChIKey is WDGKQRSYCYYOKW-LOTISGIDSA-N. The full InChI is InChI=1S/C28H45F3N2/c1-4-9-26(24(5-2)16-21-10-7-8-11-21)17-22-12-14-25(15-13-22)27(28(29,30)31)18-23(19-32)20-33-6-3/h9,17-19,21,24-25,33H,4-8,10-16,20,32H2,1-3H3/b22-17-,23-19+,26-9+,27-18+.

What are the key properties of (E)-2-[(E)-2-[4-[(Z)-2-(1-cyclopentylbutan-2-yl)pent-2-enylidene]cyclohexyl]-3,3,3-trifluoroprop-1-enyl]-N'-ethylprop-1-ene-1,3-diamine?

(E)-2-[(E)-2-[4-[(Z)-2-(1-cyclopentylbutan-2-yl)pent-2-enylidene]cyclohexyl]-3,3,3-trifluoroprop-1-enyl]-N'-ethylprop-1-ene-1,3-diamine has a molecular weight of 466.68 g/mol, XLogP of 7.99, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-[(E)-2-[4-[(Z)-2-(1-cyclopentylbutan-2-yl)pent-2-enylidene]cyclohexyl]-3,3,3-trifluoroprop-1-enyl]-N'-ethylprop-1-ene-1,3-diamine is sourced from PubChem (CID 129169719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).