2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine

C12H24N2O2 — CID 102656744

IUPAC2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine
SMILESCC1CN(CCOC2(C)CNC2)C(C)CO1
InChIInChI=1S/C12H24N2O2/c1-10-7-15-11(2)6-14(10)4-5-16-12(3)8-13-9-12/h10-11,13H,4-9H2,1-3H3
InChIKeyMAIKTMJHMXHCJM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.47
Rot. Bonds4

About 2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine

2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine (PubChem CID 102656744) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine
PubChem CID102656744
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine
SMILESCC1CN(CCOC2(C)CNC2)C(C)CO1
InChIInChI=1S/C12H24N2O2/c1-10-7-15-11(2)6-14(10)4-5-16-12(3)8-13-9-12/h10-11,13H,4-9H2,1-3H3
InChIKeyMAIKTMJHMXHCJM-UHFFFAOYSA-N
XLogP0.47
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine?
The IUPAC name of 2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine (CID 102656744) is 2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine.
What is the SMILES notation for 2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine?
The canonical SMILES for 2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine is CC1CN(CCOC2(C)CNC2)C(C)CO1.
What is the InChIKey of 2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine?
The InChIKey is MAIKTMJHMXHCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-7-15-11(2)6-14(10)4-5-16-12(3)8-13-9-12/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine?
2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine has a molecular weight of 228.34 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine is sourced from PubChem (CID 102656744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).