2-propan-2-yl-4-pyrrolidin-3-ylmorpholine

C11H22N2O — CID 58469112

IUPAC2-propan-2-yl-4-pyrrolidin-3-ylmorpholine
SMILESCC(C)C1CN(C2CCNC2)CCO1
InChIInChI=1S/C11H22N2O/c1-9(2)11-8-13(5-6-14-11)10-3-4-12-7-10/h9-12H,3-8H2,1-2H3
InChIKeyXHOYJUMXXWVVFZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds2

About 2-propan-2-yl-4-pyrrolidin-3-ylmorpholine

2-propan-2-yl-4-pyrrolidin-3-ylmorpholine (PubChem CID 58469112) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-propan-2-yl-4-pyrrolidin-3-ylmorpholine.

Molecular Properties

Compound Name2-propan-2-yl-4-pyrrolidin-3-ylmorpholine
PubChem CID58469112
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-propan-2-yl-4-pyrrolidin-3-ylmorpholine
SMILESCC(C)C1CN(C2CCNC2)CCO1
InChIInChI=1S/C11H22N2O/c1-9(2)11-8-13(5-6-14-11)10-3-4-12-7-10/h9-12H,3-8H2,1-2H3
InChIKeyXHOYJUMXXWVVFZ-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-pyrrolidin-3-ylmorpholine?
The IUPAC name of 2-propan-2-yl-4-pyrrolidin-3-ylmorpholine (CID 58469112) is 2-propan-2-yl-4-pyrrolidin-3-ylmorpholine.
What is the SMILES notation for 2-propan-2-yl-4-pyrrolidin-3-ylmorpholine?
The canonical SMILES for 2-propan-2-yl-4-pyrrolidin-3-ylmorpholine is CC(C)C1CN(C2CCNC2)CCO1.
What is the InChIKey of 2-propan-2-yl-4-pyrrolidin-3-ylmorpholine?
The InChIKey is XHOYJUMXXWVVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)11-8-13(5-6-14-11)10-3-4-12-7-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-pyrrolidin-3-ylmorpholine?
2-propan-2-yl-4-pyrrolidin-3-ylmorpholine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-pyrrolidin-3-ylmorpholine is sourced from PubChem (CID 58469112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).