1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine

C9H18N2O — CID 146233379

IUPAC1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine
SMILESCCN1CC(N2CC(OC)C2)C1
InChIInChI=1S/C9H18N2O/c1-3-10-4-8(5-10)11-6-9(7-11)12-2/h8-9H,3-7H2,1-2H3
InChIKeyYDBDTRXNVFXLOE-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.02
Rot. Bonds3

About 1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine

1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine (PubChem CID 146233379) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine.

Molecular Properties

Compound Name1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine
PubChem CID146233379
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine
SMILESCCN1CC(N2CC(OC)C2)C1
InChIInChI=1S/C9H18N2O/c1-3-10-4-8(5-10)11-6-9(7-11)12-2/h8-9H,3-7H2,1-2H3
InChIKeyYDBDTRXNVFXLOE-UHFFFAOYSA-N
XLogP0.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine?
The IUPAC name of 1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine (CID 146233379) is 1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine.
What is the SMILES notation for 1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine?
The canonical SMILES for 1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine is CCN1CC(N2CC(OC)C2)C1.
What is the InChIKey of 1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine?
The InChIKey is YDBDTRXNVFXLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-10-4-8(5-10)11-6-9(7-11)12-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine?
1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine has a molecular weight of 170.26 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methoxyazetidin-1-yl)azetidine is sourced from PubChem (CID 146233379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).