4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine

C11H22N2O — CID 117269817

IUPAC4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine
SMILESCC1(C)CC(CN2CCOCC2)CN1
InChIInChI=1S/C11H22N2O/c1-11(2)7-10(8-12-11)9-13-3-5-14-6-4-13/h10,12H,3-9H2,1-2H3
InChIKeyDDMYXZQRRHKLIY-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds2

About 4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine

4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine (PubChem CID 117269817) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine
PubChem CID117269817
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine
SMILESCC1(C)CC(CN2CCOCC2)CN1
InChIInChI=1S/C11H22N2O/c1-11(2)7-10(8-12-11)9-13-3-5-14-6-4-13/h10,12H,3-9H2,1-2H3
InChIKeyDDMYXZQRRHKLIY-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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Related Compounds

4-(azetidin-3-ylmethyl)morpholine
CID 66596271
4-(oxan-4-ylmethyl)morpholine
CID 122244931
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane
CID 176921987
4-(5,5-dimethylpyrrolidin-3-yl)-1,4-oxazepane
CID 82014639
4-(cyclohexylmethyl)morpholine
CID 641545
[5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol
CID 82247600
[2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol
CID 117270870
4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine
CID 167996551
3-(morpholin-4-ylmethyl)cyclobutan-1-ol
CID 68619351
4-[(1-ethylpiperidin-4-yl)methyl]morpholine;propane
CID 176563536
3,3-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
CID 64871665
4-methyl-3-(morpholin-4-ylmethyl)piperidin-4-ol
CID 105467939

Frequently Asked Questions

What is the IUPAC name of 4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine?
The IUPAC name of 4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine (CID 117269817) is 4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine is CC1(C)CC(CN2CCOCC2)CN1.
What is the InChIKey of 4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine?
The InChIKey is DDMYXZQRRHKLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)7-10(8-12-11)9-13-3-5-14-6-4-13/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine?
4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine 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 4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine is sourced from PubChem (CID 117269817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).