2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine

C13H20N2O — CID 156652374

IUPAC2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine
SMILESCOC1CN(Cc2cccc(C(C)C)n2)C1
InChIInChI=1S/C13H20N2O/c1-10(2)13-6-4-5-11(14-13)7-15-8-12(9-15)16-3/h4-6,10,12H,7-9H2,1-3H3
InChIKeyHODWKZPUPCFJGI-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.04
Rot. Bonds4

About 2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine

2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine (PubChem CID 156652374) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine
PubChem CID156652374
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine
SMILESCOC1CN(Cc2cccc(C(C)C)n2)C1
InChIInChI=1S/C13H20N2O/c1-10(2)13-6-4-5-11(14-13)7-15-8-12(9-15)16-3/h4-6,10,12H,7-9H2,1-3H3
InChIKeyHODWKZPUPCFJGI-UHFFFAOYSA-N
XLogP2.04
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine?
The IUPAC name of 2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine (CID 156652374) is 2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine.
What is the SMILES notation for 2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine?
The canonical SMILES for 2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine is COC1CN(Cc2cccc(C(C)C)n2)C1.
What is the InChIKey of 2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine?
The InChIKey is HODWKZPUPCFJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)13-6-4-5-11(14-13)7-15-8-12(9-15)16-3/h4-6,10,12H,7-9H2,1-3H3.
What are the key properties of 2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine?
2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine has a molecular weight of 220.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine is sourced from PubChem (CID 156652374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).