4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine

C12H24N2O — CID 116679461

IUPAC4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine
SMILESCCC1COCCN1CC(C)C1CNC1
InChIInChI=1S/C12H24N2O/c1-3-12-9-15-5-4-14(12)8-10(2)11-6-13-7-11/h10-13H,3-9H2,1-2H3
InChIKeyYYBIQXLLLDVUBB-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.95
Rot. Bonds4

About 4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine

4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine (PubChem CID 116679461) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine.

Molecular Properties

Compound Name4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine
PubChem CID116679461
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine
SMILESCCC1COCCN1CC(C)C1CNC1
InChIInChI=1S/C12H24N2O/c1-3-12-9-15-5-4-14(12)8-10(2)11-6-13-7-11/h10-13H,3-9H2,1-2H3
InChIKeyYYBIQXLLLDVUBB-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine
CID 116679486
4-(3-bromo-2-methylpropyl)-3-ethylmorpholine
CID 64996341
1-(3-ethylmorpholin-4-yl)-3-methoxypropan-2-amine
CID 81101741
2-(3-ethylmorpholin-4-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113448072
1-cyclohexyl-2-(3-ethylmorpholin-4-yl)ethanol
CID 113449096
2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43613076
N-[3-(3-ethylmorpholin-4-yl)-2-methylpropyl]cyclopropanamine
CID 62432403
3-(3-ethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-amine
CID 62618747
2-(3-ethylmorpholin-4-yl)-1-phenylethanamine
CID 43613110
4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 116679809
1-cyclopropyl-N-[2-(3-ethylmorpholin-4-yl)ethyl]ethanamine
CID 62560823
2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 80997073

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine?
The IUPAC name of 4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine (CID 116679461) is 4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine.
What is the SMILES notation for 4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine?
The canonical SMILES for 4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine is CCC1COCCN1CC(C)C1CNC1.
What is the InChIKey of 4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine?
The InChIKey is YYBIQXLLLDVUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-12-9-15-5-4-14(12)8-10(2)11-6-13-7-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine?
4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine has a molecular weight of 212.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine is sourced from PubChem (CID 116679461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).