5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane

C11H20N2O — CID 131062561

IUPAC5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane
SMILESCOC1CN(C(C)C2C3CNC2C3)C1
InChIInChI=1S/C11H20N2O/c1-7(13-5-9(6-13)14-2)11-8-3-10(11)12-4-8/h7-12H,3-6H2,1-2H3
InChIKeyBSWVDQCBBIYWLX-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.31
Rot. Bonds3

About 5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane

5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane (PubChem CID 131062561) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane
PubChem CID131062561
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane
SMILESCOC1CN(C(C)C2C3CNC2C3)C1
InChIInChI=1S/C11H20N2O/c1-7(13-5-9(6-13)14-2)11-8-3-10(11)12-4-8/h7-12H,3-6H2,1-2H3
InChIKeyBSWVDQCBBIYWLX-UHFFFAOYSA-N
XLogP0.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane (CID 131062561) is 5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane is COC1CN(C(C)C2C3CNC2C3)C1.
What is the InChIKey of 5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane?
The InChIKey is BSWVDQCBBIYWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(13-5-9(6-13)14-2)11-8-3-10(11)12-4-8/h7-12H,3-6H2,1-2H3.
What are the key properties of 5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane?
5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane has a molecular weight of 196.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 131062561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).