3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine

C13H23NO — CID 146661435

IUPAC3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine
SMILESCOC1C=CCN(C2CCC(C)CC2)C1
InChIInChI=1S/C13H23NO/c1-11-5-7-12(8-6-11)14-9-3-4-13(10-14)15-2/h3-4,11-13H,5-10H2,1-2H3
InChIKeySQIZHLCUICJKRM-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.45
Rot. Bonds2

About 3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine

3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine (PubChem CID 146661435) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine
PubChem CID146661435
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine
SMILESCOC1C=CCN(C2CCC(C)CC2)C1
InChIInChI=1S/C13H23NO/c1-11-5-7-12(8-6-11)14-9-3-4-13(10-14)15-2/h3-4,11-13H,5-10H2,1-2H3
InChIKeySQIZHLCUICJKRM-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine (CID 146661435) is 3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine is COC1C=CCN(C2CCC(C)CC2)C1.
What is the InChIKey of 3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine?
The InChIKey is SQIZHLCUICJKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11-5-7-12(8-6-11)14-9-3-4-13(10-14)15-2/h3-4,11-13H,5-10H2,1-2H3.
What are the key properties of 3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine?
3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine has a molecular weight of 209.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 146661435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).