3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine

C11H23NO — CID 135243155

IUPAC3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine
SMILESCCC(COC(C)(C)C)C1CNC1
InChIInChI=1S/C11H23NO/c1-5-9(10-6-12-7-10)8-13-11(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyOEHDLYVSFKZYHH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds4

About 3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine

3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine (PubChem CID 135243155) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine.

Molecular Properties

Compound Name3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine
PubChem CID135243155
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine
SMILESCCC(COC(C)(C)C)C1CNC1
InChIInChI=1S/C11H23NO/c1-5-9(10-6-12-7-10)8-13-11(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyOEHDLYVSFKZYHH-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine?
The IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine (CID 135243155) is 3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine.
What is the SMILES notation for 3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine?
The canonical SMILES for 3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine is CCC(COC(C)(C)C)C1CNC1.
What is the InChIKey of 3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine?
The InChIKey is OEHDLYVSFKZYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-9(10-6-12-7-10)8-13-11(2,3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine?
3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine is sourced from PubChem (CID 135243155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).