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

C11H23NO — CID 20517357

IUPAC1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine
SMILESCC(C)(C)OC1CN(C(C)(C)C)C1
InChIInChI=1S/C11H23NO/c1-10(2,3)12-7-9(8-12)13-11(4,5)6/h9H,7-8H2,1-6H3
InChIKeyWSMWEXFTBCXMQX-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.28
Rot. Bonds1

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

1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine (PubChem CID 20517357) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine
PubChem CID20517357
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine
SMILESCC(C)(C)OC1CN(C(C)(C)C)C1
InChIInChI=1S/C11H23NO/c1-10(2,3)12-7-9(8-12)13-11(4,5)6/h9H,7-8H2,1-6H3
InChIKeyWSMWEXFTBCXMQX-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

Analyze 1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methoxy-3-methyl-1-(2-methylpropyl)azetidine
CID 15208627
1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
3-(Fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
CID 123717229
1-Propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 137471188
1-Tert-butyl-3-ethoxy-3-(trifluoromethyl)azetidine
CID 137536642
1-Tert-butyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 137536748
3-(Difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine
CID 140959012
1-Ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 145394987
3-Fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
CID 146595815
3-[(2-Methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine
CID 153420388
1-Tert-butyl-3-(2-fluoroethoxy)azetidine
CID 155452195
3-(1-Fluoroethoxy)-1-(2-methylpropyl)azetidine
CID 161964194

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine?
The IUPAC name of 1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine (CID 20517357) is 1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine.
What is the SMILES notation for 1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine?
The canonical SMILES for 1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine is CC(C)(C)OC1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine?
The InChIKey is WSMWEXFTBCXMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)12-7-9(8-12)13-11(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine?
1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine has a molecular weight of 185.31 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine is sourced from PubChem (CID 20517357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).