4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine

C13H21NO — CID 167247130

IUPAC4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine
SMILESCOC1CC(C2=CCCCC2)=CC(C)N1
InChIInChI=1S/C13H21NO/c1-10-8-12(9-13(14-10)15-2)11-6-4-3-5-7-11/h6,8,10,13-14H,3-5,7,9H2,1-2H3
InChIKeyQMZCWJYGERARML-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.77
Rot. Bonds2

About 4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine

4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 167247130) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine
PubChem CID167247130
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine
SMILESCOC1CC(C2=CCCCC2)=CC(C)N1
InChIInChI=1S/C13H21NO/c1-10-8-12(9-13(14-10)15-2)11-6-4-3-5-7-11/h6,8,10,13-14H,3-5,7,9H2,1-2H3
InChIKeyQMZCWJYGERARML-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine (CID 167247130) is 4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine is COC1CC(C2=CCCCC2)=CC(C)N1.
What is the InChIKey of 4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is QMZCWJYGERARML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-8-12(9-13(14-10)15-2)11-6-4-3-5-7-11/h6,8,10,13-14H,3-5,7,9H2,1-2H3.
What are the key properties of 4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine?
4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 207.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 167247130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).