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

C7H15NO — CID 59596501

IUPAC3-[(2-methylpropan-2-yl)oxy]azetidine
SMILESCC(C)(C)OC1CNC1
InChIInChI=1S/C7H15NO/c1-7(2,3)9-6-4-8-5-6/h6,8H,4-5H2,1-3H3
InChIKeyOFIHLJVSTBCYEM-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.77
Rot. Bonds1

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

3-[(2-methylpropan-2-yl)oxy]azetidine (PubChem CID 59596501) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]azetidine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]azetidine
PubChem CID59596501
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-[(2-methylpropan-2-yl)oxy]azetidine
SMILESCC(C)(C)OC1CNC1
InChIInChI=1S/C7H15NO/c1-7(2,3)9-6-4-8-5-6/h6,8H,4-5H2,1-3H3
InChIKeyOFIHLJVSTBCYEM-UHFFFAOYSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]azetidine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]azetidine (CID 59596501) is 3-[(2-methylpropan-2-yl)oxy]azetidine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]azetidine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]azetidine is CC(C)(C)OC1CNC1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]azetidine?
The InChIKey is OFIHLJVSTBCYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2,3)9-6-4-8-5-6/h6,8H,4-5H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]azetidine?
3-[(2-methylpropan-2-yl)oxy]azetidine has a molecular weight of 129.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]azetidine is sourced from PubChem (CID 59596501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).