3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine

C11H22N2O — CID 167292249

IUPAC3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine
SMILESCCOC1CN(C2CN(C(C)C)C2)C1
InChIInChI=1S/C11H22N2O/c1-4-14-11-7-13(8-11)10-5-12(6-10)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyDMYFSNMIJBKOKX-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.80
Rot. Bonds4

About 3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine

3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine (PubChem CID 167292249) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine.

Molecular Properties

Compound Name3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine
PubChem CID167292249
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine
SMILESCCOC1CN(C2CN(C(C)C)C2)C1
InChIInChI=1S/C11H22N2O/c1-4-14-11-7-13(8-11)10-5-12(6-10)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyDMYFSNMIJBKOKX-UHFFFAOYSA-N
XLogP0.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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 3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine?
The IUPAC name of 3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine (CID 167292249) is 3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine.
What is the SMILES notation for 3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine?
The canonical SMILES for 3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine is CCOC1CN(C2CN(C(C)C)C2)C1.
What is the InChIKey of 3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine?
The InChIKey is DMYFSNMIJBKOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-14-11-7-13(8-11)10-5-12(6-10)9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine?
3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine has a molecular weight of 198.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1-propan-2-ylazetidin-3-yl)azetidine is sourced from PubChem (CID 167292249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).