4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine

C12H24N2O — CID 83073727

IUPAC4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine
SMILESCCC1(CN2CCOC(C)C2)CCCN1
InChIInChI=1S/C12H24N2O/c1-3-12(5-4-6-13-12)10-14-7-8-15-11(2)9-14/h11,13H,3-10H2,1-2H3
InChIKeyPALDTDMYVBPDFC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds3

About 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine

4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine (PubChem CID 83073727) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine
PubChem CID83073727
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine
SMILESCCC1(CN2CCOC(C)C2)CCCN1
InChIInChI=1S/C12H24N2O/c1-3-12(5-4-6-13-12)10-14-7-8-15-11(2)9-14/h11,13H,3-10H2,1-2H3
InChIKeyPALDTDMYVBPDFC-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine?
The IUPAC name of 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine (CID 83073727) is 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine.
What is the SMILES notation for 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine?
The canonical SMILES for 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine is CCC1(CN2CCOC(C)C2)CCCN1.
What is the InChIKey of 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine?
The InChIKey is PALDTDMYVBPDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-12(5-4-6-13-12)10-14-7-8-15-11(2)9-14/h11,13H,3-10H2,1-2H3.
What are the key properties of 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine?
4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine is sourced from PubChem (CID 83073727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).