2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine

C11H22N2O — CID 93204728

IUPAC2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
SMILESCC1(C)CN(C[C@@H]2CCCN2)CCO1
InChIInChI=1S/C11H22N2O/c1-11(2)9-13(6-7-14-11)8-10-4-3-5-12-10/h10,12H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyDKLQKRSUCOYELX-JTQLQIEISA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds2

About 2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine

2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine (PubChem CID 93204728) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
PubChem CID93204728
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
SMILESCC1(C)CN(C[C@@H]2CCCN2)CCO1
InChIInChI=1S/C11H22N2O/c1-11(2)9-13(6-7-14-11)8-10-4-3-5-12-10/h10,12H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyDKLQKRSUCOYELX-JTQLQIEISA-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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Related Compounds

2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine
CID 107069025
2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
CID 102819699
2,2-dimethyl-4-(1,3-thiazolidin-4-ylmethyl)morpholine
CID 43592953
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110
2-methyl-4-(pyrrolidin-2-ylmethyl)morpholine
CID 43199476
1-(2,2-dimethylmorpholin-4-yl)-3-piperidin-2-ylpropan-1-one
CID 62212610
1-(2,2-dimethylmorpholin-4-yl)-2-piperidin-2-ylethanone
CID 43592977
3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine
CID 115023488
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
3,3-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine
CID 61430451
2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane
CID 107393237

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of 2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine (CID 93204728) is 2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for 2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for 2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine is CC1(C)CN(C[C@@H]2CCCN2)CCO1.
What is the InChIKey of 2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine?
The InChIKey is DKLQKRSUCOYELX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)9-13(6-7-14-11)8-10-4-3-5-12-10/h10,12H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine?
2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]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 2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 93204728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).