4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine

C13H26N2O — CID 63142734

IUPAC4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine
SMILESCCC1(CN2CC(C)OCC2C)CCNC1
InChIInChI=1S/C13H26N2O/c1-4-13(5-6-14-9-13)10-15-7-12(3)16-8-11(15)2/h11-12,14H,4-10H2,1-3H3
InChIKeyXPYDIOHHOWVGQE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds3

About 4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine

4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine (PubChem CID 63142734) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine
PubChem CID63142734
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine
SMILESCCC1(CN2CC(C)OCC2C)CCNC1
InChIInChI=1S/C13H26N2O/c1-4-13(5-6-14-9-13)10-15-7-12(3)16-8-11(15)2/h11-12,14H,4-10H2,1-3H3
InChIKeyXPYDIOHHOWVGQE-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine?
The IUPAC name of 4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine (CID 63142734) is 4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine.
What is the SMILES notation for 4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine?
The canonical SMILES for 4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine is CCC1(CN2CC(C)OCC2C)CCNC1.
What is the InChIKey of 4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine?
The InChIKey is XPYDIOHHOWVGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-13(5-6-14-9-13)10-15-7-12(3)16-8-11(15)2/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine?
4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine is sourced from PubChem (CID 63142734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).