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

C12H24N2O — CID 166567402

IUPAC1-tert-butyl-3-(3-ethoxyazetidin-1-yl)azetidine
SMILESCCOC1CN(C2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C12H24N2O/c1-5-15-11-8-13(9-11)10-6-14(7-10)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyKEZNIWSWMPIKNC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds3

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

1-tert-butyl-3-(3-ethoxyazetidin-1-yl)azetidine (PubChem CID 166567402) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-ethoxyazetidin-1-yl)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(3-ethoxyazetidin-1-yl)azetidine
PubChem CID166567402
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-tert-butyl-3-(3-ethoxyazetidin-1-yl)azetidine
SMILESCCOC1CN(C2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C12H24N2O/c1-5-15-11-8-13(9-11)10-6-14(7-10)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyKEZNIWSWMPIKNC-UHFFFAOYSA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
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-ethoxyazetidin-1-yl)azetidine?
The IUPAC name of 1-tert-butyl-3-(3-ethoxyazetidin-1-yl)azetidine (CID 166567402) is 1-tert-butyl-3-(3-ethoxyazetidin-1-yl)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(3-ethoxyazetidin-1-yl)azetidine?
The canonical SMILES for 1-tert-butyl-3-(3-ethoxyazetidin-1-yl)azetidine is CCOC1CN(C2CN(C(C)(C)C)C2)C1.
What is the InChIKey of 1-tert-butyl-3-(3-ethoxyazetidin-1-yl)azetidine?
The InChIKey is KEZNIWSWMPIKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-15-11-8-13(9-11)10-6-14(7-10)12(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(3-ethoxyazetidin-1-yl)azetidine?
1-tert-butyl-3-(3-ethoxyazetidin-1-yl)azetidine has a molecular weight of 212.34 g/mol, XLogP of 1.19, 3 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-ethoxyazetidin-1-yl)azetidine is sourced from PubChem (CID 166567402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).