4-(azetidin-3-yl)-3,5-dimethylmorpholine

C9H18N2O — CID 18002289

IUPAC4-(azetidin-3-yl)-3,5-dimethylmorpholine
SMILESCC1COCC(C)N1C1CNC1
InChIInChI=1S/C9H18N2O/c1-7-5-12-6-8(2)11(7)9-3-10-4-9/h7-10H,3-6H2,1-2H3
InChIKeyBKBZTIOBCUISCB-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds1

About 4-(azetidin-3-yl)-3,5-dimethylmorpholine

4-(azetidin-3-yl)-3,5-dimethylmorpholine (PubChem CID 18002289) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-3,5-dimethylmorpholine.

Molecular Properties

Compound Name4-(azetidin-3-yl)-3,5-dimethylmorpholine
PubChem CID18002289
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-(azetidin-3-yl)-3,5-dimethylmorpholine
SMILESCC1COCC(C)N1C1CNC1
InChIInChI=1S/C9H18N2O/c1-7-5-12-6-8(2)11(7)9-3-10-4-9/h7-10H,3-6H2,1-2H3
InChIKeyBKBZTIOBCUISCB-UHFFFAOYSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-3,5-dimethylmorpholine?
The IUPAC name of 4-(azetidin-3-yl)-3,5-dimethylmorpholine (CID 18002289) is 4-(azetidin-3-yl)-3,5-dimethylmorpholine.
What is the SMILES notation for 4-(azetidin-3-yl)-3,5-dimethylmorpholine?
The canonical SMILES for 4-(azetidin-3-yl)-3,5-dimethylmorpholine is CC1COCC(C)N1C1CNC1.
What is the InChIKey of 4-(azetidin-3-yl)-3,5-dimethylmorpholine?
The InChIKey is BKBZTIOBCUISCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-5-12-6-8(2)11(7)9-3-10-4-9/h7-10H,3-6H2,1-2H3.
What are the key properties of 4-(azetidin-3-yl)-3,5-dimethylmorpholine?
4-(azetidin-3-yl)-3,5-dimethylmorpholine has a molecular weight of 170.26 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-3,5-dimethylmorpholine is sourced from PubChem (CID 18002289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).