1-(oxan-4-yl)-2-propan-2-ylazetidine

C11H21NO — CID 89001202

IUPAC1-(oxan-4-yl)-2-propan-2-ylazetidine
SMILESCC(C)C1CCN1C1CCOCC1
InChIInChI=1S/C11H21NO/c1-9(2)11-3-6-12(11)10-4-7-13-8-5-10/h9-11H,3-8H2,1-2H3
InChIKeyMWCHPGAEOWVWDH-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds2

About 1-(oxan-4-yl)-2-propan-2-ylazetidine

1-(oxan-4-yl)-2-propan-2-ylazetidine (PubChem CID 89001202) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-propan-2-ylazetidine.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-propan-2-ylazetidine
PubChem CID89001202
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(oxan-4-yl)-2-propan-2-ylazetidine
SMILESCC(C)C1CCN1C1CCOCC1
InChIInChI=1S/C11H21NO/c1-9(2)11-3-6-12(11)10-4-7-13-8-5-10/h9-11H,3-8H2,1-2H3
InChIKeyMWCHPGAEOWVWDH-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-2-propan-2-ylazetidine?
The IUPAC name of 1-(oxan-4-yl)-2-propan-2-ylazetidine (CID 89001202) is 1-(oxan-4-yl)-2-propan-2-ylazetidine.
What is the SMILES notation for 1-(oxan-4-yl)-2-propan-2-ylazetidine?
The canonical SMILES for 1-(oxan-4-yl)-2-propan-2-ylazetidine is CC(C)C1CCN1C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2-propan-2-ylazetidine?
The InChIKey is MWCHPGAEOWVWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)11-3-6-12(11)10-4-7-13-8-5-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(oxan-4-yl)-2-propan-2-ylazetidine?
1-(oxan-4-yl)-2-propan-2-ylazetidine has a molecular weight of 183.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2-propan-2-ylazetidine is sourced from PubChem (CID 89001202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).