5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine

C12H22N2O — CID 106314942

IUPAC5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(CCOC2(C)CNC2)C1
InChIInChI=1S/C12H22N2O/c1-11-4-3-5-14(8-11)6-7-15-12(2)9-13-10-12/h4,13H,3,5-10H2,1-2H3
InChIKeyCRCDUGQUJCATLO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.02
Rot. Bonds4

About 5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine

5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine (PubChem CID 106314942) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
PubChem CID106314942
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(CCOC2(C)CNC2)C1
InChIInChI=1S/C12H22N2O/c1-11-4-3-5-14(8-11)6-7-15-12(2)9-13-10-12/h4,13H,3,5-10H2,1-2H3
InChIKeyCRCDUGQUJCATLO-UHFFFAOYSA-N
XLogP1.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 102657076
2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine
CID 82364103
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine
CID 102656672
N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102656710
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102657023
N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102657024
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-1-amine
CID 102657025
N,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102657055
1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 102657073
4-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 102657074
4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 102657075
2-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine
CID 106315046

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine (CID 106314942) is 5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine is CC1=CCCN(CCOC2(C)CNC2)C1.
What is the InChIKey of 5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine?
The InChIKey is CRCDUGQUJCATLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11-4-3-5-14(8-11)6-7-15-12(2)9-13-10-12/h4,13H,3,5-10H2,1-2H3.
What are the key properties of 5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine?
5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine has a molecular weight of 210.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 106314942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).