3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine

C11H22N2O — CID 61430451

IUPAC3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine
SMILESCC1(C)COCCN1CC1CCCN1
InChIInChI=1S/C11H22N2O/c1-11(2)9-14-7-6-13(11)8-10-4-3-5-12-10/h10,12H,3-9H2,1-2H3
InChIKeyVMLWOQSTALUPAU-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds2

About 3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine

3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine (PubChem CID 61430451) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine
PubChem CID61430451
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine
SMILESCC1(C)COCCN1CC1CCCN1
InChIInChI=1S/C11H22N2O/c1-11(2)9-14-7-6-13(11)8-10-4-3-5-12-10/h10,12H,3-9H2,1-2H3
InChIKeyVMLWOQSTALUPAU-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine?
The IUPAC name of 3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine (CID 61430451) is 3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine.
What is the SMILES notation for 3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine?
The canonical SMILES for 3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine is CC1(C)COCCN1CC1CCCN1.
What is the InChIKey of 3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine?
The InChIKey is VMLWOQSTALUPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)9-14-7-6-13(11)8-10-4-3-5-12-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine?
3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine is sourced from PubChem (CID 61430451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).