1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine

C23H38FN — CID 155347472

IUPAC1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine
SMILESC=C(/C=C\C1=C(C)CN(CCC2CCCCC2)CC1)CCC(C)(C)F
InChIInChI=1S/C23H38FN/c1-19(12-15-23(3,4)24)10-11-22-14-17-25(18-20(22)2)16-13-21-8-6-5-7-9-21/h10-11,21H,1,5-9,12-18H2,2-4H3/b11-10-
InChIKeyLCRQRLFUPJSAQR-KHPPLWFESA-N
MW347.56 g/mol
LogP6.62
Rot. Bonds8

About 1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine

1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine (PubChem CID 155347472) has the molecular formula C23H38FN and a molecular weight of 347.56 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine
PubChem CID155347472
Molecular FormulaC23H38FN
Molecular Weight347.56 g/mol
Exact Mass347.30
IUPAC Name1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine
SMILESC=C(/C=C\C1=C(C)CN(CCC2CCCCC2)CC1)CCC(C)(C)F
InChIInChI=1S/C23H38FN/c1-19(12-15-23(3,4)24)10-11-22-14-17-25(18-20(22)2)16-13-21-8-6-5-7-9-21/h10-11,21H,1,5-9,12-18H2,2-4H3/b11-10-
InChIKeyLCRQRLFUPJSAQR-KHPPLWFESA-N
XLogP6.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.56
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine (CID 155347472) is 1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine is C=C(/C=C\C1=C(C)CN(CCC2CCCCC2)CC1)CCC(C)(C)F.
What is the InChIKey of 1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is LCRQRLFUPJSAQR-KHPPLWFESA-N. The full InChI is InChI=1S/C23H38FN/c1-19(12-15-23(3,4)24)10-11-22-14-17-25(18-20(22)2)16-13-21-8-6-5-7-9-21/h10-11,21H,1,5-9,12-18H2,2-4H3/b11-10-.
What are the key properties of 1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine?
1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 347.56 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 155347472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).