3-methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine

C9H18N2O — CID 123325413

IUPAC3-methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine
SMILESCOC1CN(CC2CN(C)C2)C1
InChIInChI=1S/C9H18N2O/c1-10-3-8(4-10)5-11-6-9(7-11)12-2/h8-9H,3-7H2,1-2H3
InChIKeyJPCRWRSBEFNFDV-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.12
Rot. Bonds3

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

3-methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine (PubChem CID 123325413) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine.

Molecular Properties

Compound Name3-methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine
PubChem CID123325413
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine
SMILESCOC1CN(CC2CN(C)C2)C1
InChIInChI=1S/C9H18N2O/c1-10-3-8(4-10)5-11-6-9(7-11)12-2/h8-9H,3-7H2,1-2H3
InChIKeyJPCRWRSBEFNFDV-UHFFFAOYSA-N
XLogP-0.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine?
The IUPAC name of 3-methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine (CID 123325413) is 3-methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine.
What is the SMILES notation for 3-methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine?
The canonical SMILES for 3-methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine is COC1CN(CC2CN(C)C2)C1.
What is the InChIKey of 3-methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine?
The InChIKey is JPCRWRSBEFNFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-3-8(4-10)5-11-6-9(7-11)12-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine?
3-methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine has a molecular weight of 170.26 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine is sourced from PubChem (CID 123325413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).