4-cyclohexyloxy-1-methylpyridin-1-ium;propane

C15H26NO+ — CID 155692734

IUPAC4-cyclohexyloxy-1-methylpyridin-1-ium;propane
SMILESCCC.C[n+]1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C12H18NO.C3H8/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;1-3-2/h7-11H,2-6H2,1H3;3H2,1-2H3/q+1;
InChIKeyVBTBSJDLSICQRW-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.64
Rot. Bonds2

About 4-cyclohexyloxy-1-methylpyridin-1-ium;propane

4-cyclohexyloxy-1-methylpyridin-1-ium;propane (PubChem CID 155692734) has the molecular formula C15H26NO+ and a molecular weight of 236.38 g/mol. Its IUPAC name is 4-cyclohexyloxy-1-methylpyridin-1-ium;propane.

Molecular Properties

Compound Name4-cyclohexyloxy-1-methylpyridin-1-ium;propane
PubChem CID155692734
Molecular FormulaC15H26NO+
Molecular Weight236.38 g/mol
Exact Mass236.20
IUPAC Name4-cyclohexyloxy-1-methylpyridin-1-ium;propane
SMILESCCC.C[n+]1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C12H18NO.C3H8/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;1-3-2/h7-11H,2-6H2,1H3;3H2,1-2H3/q+1;
InChIKeyVBTBSJDLSICQRW-UHFFFAOYSA-N
XLogP3.64
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-1-methylpyridin-1-ium;propane?
The IUPAC name of 4-cyclohexyloxy-1-methylpyridin-1-ium;propane (CID 155692734) is 4-cyclohexyloxy-1-methylpyridin-1-ium;propane.
What is the SMILES notation for 4-cyclohexyloxy-1-methylpyridin-1-ium;propane?
The canonical SMILES for 4-cyclohexyloxy-1-methylpyridin-1-ium;propane is CCC.C[n+]1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyloxy-1-methylpyridin-1-ium;propane?
The InChIKey is VBTBSJDLSICQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO.C3H8/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;1-3-2/h7-11H,2-6H2,1H3;3H2,1-2H3/q+1;.
What are the key properties of 4-cyclohexyloxy-1-methylpyridin-1-ium;propane?
4-cyclohexyloxy-1-methylpyridin-1-ium;propane has a molecular weight of 236.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-1-methylpyridin-1-ium;propane is sourced from PubChem (CID 155692734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).