(E)-2-[2-[1-(2,3-diethyl-4-prop-1-en-2-yl-2,5-dihydropyrrol-1-yl)ethyl]penta-2,3-dienylideneamino]-5-fluorohex-1-en-1-amine

C24H38FN3 — CID 130389630

About (E)-2-[2-[1-(2,3-diethyl-4-prop-1-en-2-yl-2,5-dihydropyrrol-1-yl)ethyl]penta-2,3-dienylideneamino]-5-fluorohex-1-en-1-amine

(E)-2-[2-[1-(2,3-diethyl-4-prop-1-en-2-yl-2,5-dihydropyrrol-1-yl)ethyl]penta-2,3-dienylideneamino]-5-fluorohex-1-en-1-amine (PubChem CID 130389630) has the molecular formula C24H38FN3 and a molecular weight of 387.59 g/mol. Its IUPAC name is (E)-2-[2-[1-(2,3-diethyl-4-prop-1-en-2-yl-2,5-dihydropyrrol-1-yl)ethyl]penta-2,3-dienylideneamino]-5-fluorohex-1-en-1-amine.

Molecular Properties

• Compound Name: (E)-2-[2-[1-(2,3-diethyl-4-prop-1-en-2-yl-2,5-dihydropyrrol-1-yl)ethyl]penta-2,3-dienylideneamino]-5-fluorohex-1-en-1-amine
• PubChem CID: 130389630
• Molecular Formula: C24H38FN3
• Molecular Weight: 387.59 g/mol
• Exact Mass: 387.30
• IUPAC Name: (E)-2-[2-[1-(2,3-diethyl-4-prop-1-en-2-yl-2,5-dihydropyrrol-1-yl)ethyl]penta-2,3-dienylideneamino]-5-fluorohex-1-en-1-amine
• SMILES: C=C(C)C1=C(CC)C(CC)N(C(C)C(=C=CC)/C=N/C(=C/N)CCC(C)F)C1
• InChI: InChI=1S/C24H38FN3/c1-8-11-20(15-27-21(14-26)13-12-18(6)25)19(7)28-16-23(17(4)5)22(9-2)24(28)10-3/h8,14-15,18-19,24H,4,9-10,12-13,16,26H2,1-3,5-7H3/b21-14+,27-15+
• InChIKey: FYCUXJGLEZYZBN-HRFNUEPQSA-N
• XLogP: 5.86
• TPSA: 41.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.59
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-2-[2-[1-(2,3-diethyl-4-prop-1-en-2-yl-2,5-dihydropyrrol-1-yl)ethyl]penta-2,3-dienylideneamino]-5-fluorohex-1-en-1-amine?

The IUPAC name of (E)-2-[2-[1-(2,3-diethyl-4-prop-1-en-2-yl-2,5-dihydropyrrol-1-yl)ethyl]penta-2,3-dienylideneamino]-5-fluorohex-1-en-1-amine (CID 130389630) is (E)-2-[2-[1-(2,3-diethyl-4-prop-1-en-2-yl-2,5-dihydropyrrol-1-yl)ethyl]penta-2,3-dienylideneamino]-5-fluorohex-1-en-1-amine.

What is the SMILES notation for (E)-2-[2-[1-(2,3-diethyl-4-prop-1-en-2-yl-2,5-dihydropyrrol-1-yl)ethyl]penta-2,3-dienylideneamino]-5-fluorohex-1-en-1-amine?

The canonical SMILES for (E)-2-[2-[1-(2,3-diethyl-4-prop-1-en-2-yl-2,5-dihydropyrrol-1-yl)ethyl]penta-2,3-dienylideneamino]-5-fluorohex-1-en-1-amine is C=C(C)C1=C(CC)C(CC)N(C(C)C(=C=CC)/C=N/C(=C/N)CCC(C)F)C1.

What is the InChIKey of (E)-2-[2-[1-(2,3-diethyl-4-prop-1-en-2-yl-2,5-dihydropyrrol-1-yl)ethyl]penta-2,3-dienylideneamino]-5-fluorohex-1-en-1-amine?

The InChIKey is FYCUXJGLEZYZBN-HRFNUEPQSA-N. The full InChI is InChI=1S/C24H38FN3/c1-8-11-20(15-27-21(14-26)13-12-18(6)25)19(7)28-16-23(17(4)5)22(9-2)24(28)10-3/h8,14-15,18-19,24H,4,9-10,12-13,16,26H2,1-3,5-7H3/b21-14+,27-15+.

What are the key properties of (E)-2-[2-[1-(2,3-diethyl-4-prop-1-en-2-yl-2,5-dihydropyrrol-1-yl)ethyl]penta-2,3-dienylideneamino]-5-fluorohex-1-en-1-amine?

(E)-2-[2-[1-(2,3-diethyl-4-prop-1-en-2-yl-2,5-dihydropyrrol-1-yl)ethyl]penta-2,3-dienylideneamino]-5-fluorohex-1-en-1-amine has a molecular weight of 387.59 g/mol, XLogP of 5.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-[2-[1-(2,3-diethyl-4-prop-1-en-2-yl-2,5-dihydropyrrol-1-yl)ethyl]penta-2,3-dienylideneamino]-5-fluorohex-1-en-1-amine is sourced from PubChem (CID 130389630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).