1-(2-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine

C16H24FN — CID 144859706

IUPAC1-(2-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine
SMILESC=C/C(C)=C/C(=C)C1=CCN(CC(C)(C)F)CC1
InChIInChI=1S/C16H24FN/c1-6-13(2)11-14(3)15-7-9-18(10-8-15)12-16(4,5)17/h6-7,11H,1,3,8-10,12H2,2,4-5H3/b13-11+
InChIKeySWMITISCNAGFPS-ACCUITESSA-N
MW249.37 g/mol
LogP4.06
Rot. Bonds5

About 1-(2-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine

1-(2-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine (PubChem CID 144859706) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine
PubChem CID144859706
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name1-(2-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine
SMILESC=C/C(C)=C/C(=C)C1=CCN(CC(C)(C)F)CC1
InChIInChI=1S/C16H24FN/c1-6-13(2)11-14(3)15-7-9-18(10-8-15)12-16(4,5)17/h6-7,11H,1,3,8-10,12H2,2,4-5H3/b13-11+
InChIKeySWMITISCNAGFPS-ACCUITESSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.06
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-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine (CID 144859706) is 1-(2-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine is C=C/C(C)=C/C(=C)C1=CCN(CC(C)(C)F)CC1.
What is the InChIKey of 1-(2-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine?
The InChIKey is SWMITISCNAGFPS-ACCUITESSA-N. The full InChI is InChI=1S/C16H24FN/c1-6-13(2)11-14(3)15-7-9-18(10-8-15)12-16(4,5)17/h6-7,11H,1,3,8-10,12H2,2,4-5H3/b13-11+.
What are the key properties of 1-(2-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine?
1-(2-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine has a molecular weight of 249.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-methylpropyl)-4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 144859706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).