3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine

C13H27NO — CID 171753291

IUPAC3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine
SMILESCOC1CN(C(C(C)(C)C)C(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-12(2,3)11(13(4,5)6)14-8-10(9-14)15-7/h10-11H,8-9H2,1-7H3
InChIKeyNFMONGOTZNCMJI-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.78
Rot. Bonds2

About 3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine

3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine (PubChem CID 171753291) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine.

Molecular Properties

Compound Name3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine
PubChem CID171753291
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine
SMILESCOC1CN(C(C(C)(C)C)C(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-12(2,3)11(13(4,5)6)14-8-10(9-14)15-7/h10-11H,8-9H2,1-7H3
InChIKeyNFMONGOTZNCMJI-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)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

2-(3-methoxyazetidin-1-yl)propan-1-ol
CID 130548060
CID 58998168
CID 58998168
2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine
CID 130548455
CID 146695503
CID 146695503
2-(3-methoxyazetidin-1-yl)-2-methylpropanal
CID 131209528
(3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 129222575
1-(3-methoxypiperidin-1-yl)-3,3-dimethylbutan-2-ol
CID 102966089
3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine
CID 123228638
(3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine
CID 166649366
N-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine
CID 103539731
1-butan-2-yl-3-methoxypyrrolidine
CID 146427472
(3S)-1-(1,3-dichloropropan-2-yl)-3-methoxypyrrolidine
CID 162371914

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine?
The IUPAC name of 3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine (CID 171753291) is 3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine.
What is the SMILES notation for 3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine?
The canonical SMILES for 3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine is COC1CN(C(C(C)(C)C)C(C)(C)C)C1.
What is the InChIKey of 3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine?
The InChIKey is NFMONGOTZNCMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)11(13(4,5)6)14-8-10(9-14)15-7/h10-11H,8-9H2,1-7H3.
What are the key properties of 3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine?
3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine has a molecular weight of 213.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine is sourced from PubChem (CID 171753291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).