1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine

C11H22N2O — CID 166567283

IUPAC1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine
SMILESCOC1CN(C2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-5-9(6-13)12-7-10(8-12)14-4/h9-10H,5-8H2,1-4H3
InChIKeyXNFGFUSPVVWAFG-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.80
Rot. Bonds2

About 1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine

1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine (PubChem CID 166567283) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine
PubChem CID166567283
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine
SMILESCOC1CN(C2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-5-9(6-13)12-7-10(8-12)14-4/h9-10H,5-8H2,1-4H3
InChIKeyXNFGFUSPVVWAFG-UHFFFAOYSA-N
XLogP0.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine?
The IUPAC name of 1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine (CID 166567283) is 1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine?
The canonical SMILES for 1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine is COC1CN(C2CN(C(C)(C)C)C2)C1.
What is the InChIKey of 1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine?
The InChIKey is XNFGFUSPVVWAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)13-5-9(6-13)12-7-10(8-12)14-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine?
1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine has a molecular weight of 198.31 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-methoxyazetidin-1-yl)azetidine is sourced from PubChem (CID 166567283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).