5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine

C28H50FN — CID 166724511

IUPAC5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine
SMILESCC/C=C\C1=C(CC)C(C(CCC)CCCCCC)(C2CCCC2)CN(CCF)C1
InChIInChI=1S/C28H50FN/c1-5-9-11-12-17-25(15-7-3)28(26-18-13-14-19-26)23-30(21-20-29)22-24(16-10-6-2)27(28)8-4/h10,16,25-26H,5-9,11-15,17-23H2,1-4H3/b16-10-
InChIKeyLTDJZVNPGJJAEI-YBEGLDIGSA-N
MW419.71 g/mol
LogP8.51
Rot. Bonds14

About 5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine

5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine (PubChem CID 166724511) has the molecular formula C28H50FN and a molecular weight of 419.71 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine
PubChem CID166724511
Molecular FormulaC28H50FN
Molecular Weight419.71 g/mol
Exact Mass419.39
IUPAC Name5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine
SMILESCC/C=C\C1=C(CC)C(C(CCC)CCCCCC)(C2CCCC2)CN(CCF)C1
InChIInChI=1S/C28H50FN/c1-5-9-11-12-17-25(15-7-3)28(26-18-13-14-19-26)23-30(21-20-29)22-24(16-10-6-2)27(28)8-4/h10,16,25-26H,5-9,11-15,17-23H2,1-4H3/b16-10-
InChIKeyLTDJZVNPGJJAEI-YBEGLDIGSA-N
XLogP8.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.71
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine?
The IUPAC name of 5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine (CID 166724511) is 5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine?
The canonical SMILES for 5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine is CC/C=C\C1=C(CC)C(C(CCC)CCCCCC)(C2CCCC2)CN(CCF)C1.
What is the InChIKey of 5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine?
The InChIKey is LTDJZVNPGJJAEI-YBEGLDIGSA-N. The full InChI is InChI=1S/C28H50FN/c1-5-9-11-12-17-25(15-7-3)28(26-18-13-14-19-26)23-30(21-20-29)22-24(16-10-6-2)27(28)8-4/h10,16,25-26H,5-9,11-15,17-23H2,1-4H3/b16-10-.
What are the key properties of 5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine?
5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine has a molecular weight of 419.71 g/mol, XLogP of 8.51, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine is sourced from PubChem (CID 166724511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).