3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine

C11H22N2O — CID 130848466

IUPAC3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine
SMILESCOC1(C)CN(CC2CNCC2C)C1
InChIInChI=1S/C11H22N2O/c1-9-4-12-5-10(9)6-13-7-11(2,8-13)14-3/h9-10,12H,4-8H2,1-3H3
InChIKeyCYILGERUGJHLAI-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.56
Rot. Bonds3

About 3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine

3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine (PubChem CID 130848466) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine.

Molecular Properties

Compound Name3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine
PubChem CID130848466
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine
SMILESCOC1(C)CN(CC2CNCC2C)C1
InChIInChI=1S/C11H22N2O/c1-9-4-12-5-10(9)6-13-7-11(2,8-13)14-3/h9-10,12H,4-8H2,1-3H3
InChIKeyCYILGERUGJHLAI-UHFFFAOYSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine?
The IUPAC name of 3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine (CID 130848466) is 3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine.
What is the SMILES notation for 3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine?
The canonical SMILES for 3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine is COC1(C)CN(CC2CNCC2C)C1.
What is the InChIKey of 3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine?
The InChIKey is CYILGERUGJHLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-4-12-5-10(9)6-13-7-11(2,8-13)14-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine?
3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine has a molecular weight of 198.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine is sourced from PubChem (CID 130848466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).