6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine

C13H20FN — CID 139453705

IUPAC6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CCCNC1C1C=CC(F)[C@@H](C)C1
InChIInChI=1S/C13H20FN/c1-9-4-3-7-15-13(9)11-5-6-12(14)10(2)8-11/h4-6,10-13,15H,3,7-8H2,1-2H3/t10-,11?,12?,13?/m0/s1
InChIKeyNKTSNGBTQJKOCB-DCNVRKPOSA-N
MW209.31 g/mol
LogP2.84
Rot. Bonds1

About 6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine

6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 139453705) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine
PubChem CID139453705
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CCCNC1C1C=CC(F)[C@@H](C)C1
InChIInChI=1S/C13H20FN/c1-9-4-3-7-15-13(9)11-5-6-12(14)10(2)8-11/h4-6,10-13,15H,3,7-8H2,1-2H3/t10-,11?,12?,13?/m0/s1
InChIKeyNKTSNGBTQJKOCB-DCNVRKPOSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-[2,6-Bis(2-methyl-2-propen-1-yl)-1,2,3,6-tetrahydro-4-pyridinyl]-1,6-heptadien-4-amine
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N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
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trans-Octahydrobenzo(f)quinoline
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N-Ethyl-5-(1-(ethylamino)-1-methylethyl)-2-methyl-2-cyclohexen-1-amine
CID 375999
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(2R)-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
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N-[(E,2S)-3-[(2R)-2-ethyl-5-fluorocyclohexyl]pent-3-en-2-yl]-4-methylcyclohexan-1-amine
CID 68341249

Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine (CID 139453705) is 6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine is CC1=CCCNC1C1C=CC(F)[C@@H](C)C1.
What is the InChIKey of 6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is NKTSNGBTQJKOCB-DCNVRKPOSA-N. The full InChI is InChI=1S/C13H20FN/c1-9-4-3-7-15-13(9)11-5-6-12(14)10(2)8-11/h4-6,10-13,15H,3,7-8H2,1-2H3/t10-,11?,12?,13?/m0/s1.
What are the key properties of 6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine?
6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 209.31 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 139453705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).