1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine

C11H23NO — CID 134396142

IUPAC1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine
SMILESCCC(C)(C)N1CC(OC(C)C)C1
InChIInChI=1S/C11H23NO/c1-6-11(4,5)12-7-10(8-12)13-9(2)3/h9-10H,6-8H2,1-5H3
InChIKeyNOKXMJMXMLCUBJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.28
Rot. Bonds4

About 1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine

1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine (PubChem CID 134396142) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine
PubChem CID134396142
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine
SMILESCCC(C)(C)N1CC(OC(C)C)C1
InChIInChI=1S/C11H23NO/c1-6-11(4,5)12-7-10(8-12)13-9(2)3/h9-10H,6-8H2,1-5H3
InChIKeyNOKXMJMXMLCUBJ-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine?
The IUPAC name of 1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine (CID 134396142) is 1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine?
The canonical SMILES for 1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine is CCC(C)(C)N1CC(OC(C)C)C1.
What is the InChIKey of 1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine?
The InChIKey is NOKXMJMXMLCUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-11(4,5)12-7-10(8-12)13-9(2)3/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine?
1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine has a molecular weight of 185.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-3-propan-2-yloxyazetidine is sourced from PubChem (CID 134396142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).