4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine

C13H23NO — CID 114404545

IUPAC4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
SMILESCC1CCCC(OCC2=CCNCC2)C1
InChIInChI=1S/C13H23NO/c1-11-3-2-4-13(9-11)15-10-12-5-7-14-8-6-12/h5,11,13-14H,2-4,6-10H2,1H3
InChIKeyMUDGAGPJZGEJNQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds3

About 4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine

4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine (PubChem CID 114404545) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
PubChem CID114404545
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
SMILESCC1CCCC(OCC2=CCNCC2)C1
InChIInChI=1S/C13H23NO/c1-11-3-2-4-13(9-11)15-10-12-5-7-14-8-6-12/h5,11,13-14H,2-4,6-10H2,1H3
InChIKeyMUDGAGPJZGEJNQ-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
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 4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine (CID 114404545) is 4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine is CC1CCCC(OCC2=CCNCC2)C1.
What is the InChIKey of 4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is MUDGAGPJZGEJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11-3-2-4-13(9-11)15-10-12-5-7-14-8-6-12/h5,11,13-14H,2-4,6-10H2,1H3.
What are the key properties of 4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine?
4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 209.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).