4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine

C19H30FN — CID 167215678

IUPAC4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC/C=C/C(F)=C\C=C(/C)N1CCC(CC)=C(C(C)C)C1
InChIInChI=1S/C19H30FN/c1-6-8-9-18(20)11-10-16(5)21-13-12-17(7-2)19(14-21)15(3)4/h8-11,15H,6-7,12-14H2,1-5H3/b9-8+,16-10+,18-11+
InChIKeyOALXIGOEKGYXFZ-IIVHQCOISA-N
MW291.45 g/mol
LogP5.78
Rot. Bonds6

About 4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine

4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 167215678) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is 4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID167215678
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC Name4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC/C=C/C(F)=C\C=C(/C)N1CCC(CC)=C(C(C)C)C1
InChIInChI=1S/C19H30FN/c1-6-8-9-18(20)11-10-16(5)21-13-12-17(7-2)19(14-21)15(3)4/h8-11,15H,6-7,12-14H2,1-5H3/b9-8+,16-10+,18-11+
InChIKeyOALXIGOEKGYXFZ-IIVHQCOISA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine (CID 167215678) is 4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine is CC/C=C/C(F)=C\C=C(/C)N1CCC(CC)=C(C(C)C)C1.
What is the InChIKey of 4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is OALXIGOEKGYXFZ-IIVHQCOISA-N. The full InChI is InChI=1S/C19H30FN/c1-6-8-9-18(20)11-10-16(5)21-13-12-17(7-2)19(14-21)15(3)4/h8-11,15H,6-7,12-14H2,1-5H3/b9-8+,16-10+,18-11+.
What are the key properties of 4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine?
4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 291.45 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 167215678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).