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

C11H20N2O — CID 102657073

IUPAC1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
SMILESCC1(OCCN2CC=CCC2)CNC1
InChIInChI=1S/C11H20N2O/c1-11(9-12-10-11)14-8-7-13-5-3-2-4-6-13/h2-3,12H,4-10H2,1H3
InChIKeyCBQYDDRGQCIPQH-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.63
Rot. Bonds4

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

1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine (PubChem CID 102657073) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
PubChem CID102657073
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
SMILESCC1(OCCN2CC=CCC2)CNC1
InChIInChI=1S/C11H20N2O/c1-11(9-12-10-11)14-8-7-13-5-3-2-4-6-13/h2-3,12H,4-10H2,1H3
InChIKeyCBQYDDRGQCIPQH-UHFFFAOYSA-N
XLogP0.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.63
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
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine
CID 102656672
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-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine
CID 102657026
2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine
CID 102657028
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine
CID 102657057
4-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 102657074
N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 103339491
5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 106314942
4-tert-butyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 113721381

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine (CID 102657073) is 1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine is CC1(OCCN2CC=CCC2)CNC1.
What is the InChIKey of 1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine?
The InChIKey is CBQYDDRGQCIPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(9-12-10-11)14-8-7-13-5-3-2-4-6-13/h2-3,12H,4-10H2,1H3.
What are the key properties of 1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine?
1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine has a molecular weight of 196.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 102657073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).