5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium

C11H20NO+ — CID 3306152

IUPAC5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium
SMILESCC1=CCC[NH+](C2CCOCC2)C1
InChIInChI=1S/C11H19NO/c1-10-3-2-6-12(9-10)11-4-7-13-8-5-11/h3,11H,2,4-9H2,1H3/p+1
InChIKeyMJUFEWVAXVHWSX-UHFFFAOYSA-O
MW182.29 g/mol
LogP0.40
Rot. Bonds1

About 5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium

5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium (PubChem CID 3306152) has the molecular formula C11H20NO+ and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium.

Molecular Properties

Compound Name5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium
PubChem CID3306152
Molecular FormulaC11H20NO+
Molecular Weight182.29 g/mol
Exact Mass182.15
IUPAC Name5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium
SMILESCC1=CCC[NH+](C2CCOCC2)C1
InChIInChI=1S/C11H19NO/c1-10-3-2-6-12(9-10)11-4-7-13-8-5-11/h3,11H,2,4-9H2,1H3/p+1
InChIKeyMJUFEWVAXVHWSX-UHFFFAOYSA-O
XLogP0.40
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium with MolForge

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Related Compounds

N-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine
CID 167114462
5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine
CID 3306153
Oxane;1,2,3,6-tetrahydropyridine
CID 69362981
(Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(oxan-4-yl)prop-1-ene-1,3-diamine
CID 118549012
N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine
CID 134473571
1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine;ethane
CID 142345328
methanamine;N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine
CID 143378321
4-Methyl-8-oxa-1-azaspiro[4.5]dec-3-ene
CID 154953260
(3S)-3-[(E)-hex-3-en-3-yl]morpholine
CID 167197426
ethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine
CID 177317206
N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine
CID 177317433
N-[2-(cyclohex-1-en-1-yl)ethyl]oxan-4-amine
CID 43608459

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium?
The IUPAC name of 5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium (CID 3306152) is 5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium.
What is the SMILES notation for 5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium?
The canonical SMILES for 5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium is CC1=CCC[NH+](C2CCOCC2)C1.
What is the InChIKey of 5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium?
The InChIKey is MJUFEWVAXVHWSX-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H19NO/c1-10-3-2-6-12(9-10)11-4-7-13-8-5-11/h3,11H,2,4-9H2,1H3/p+1.
What are the key properties of 5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium?
5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium has a molecular weight of 182.29 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium is sourced from PubChem (CID 3306152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).