2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine

C13H26N2O — CID 102819699

IUPAC2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
SMILESCC1(C)CN(C[C@@H]2CCCN2)CC(C)(C)O1
InChIInChI=1S/C13H26N2O/c1-12(2)9-15(10-13(3,4)16-12)8-11-6-5-7-14-11/h11,14H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyCLQMBQRTDCSPPO-NSHDSACASA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds2

About 2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine

2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine (PubChem CID 102819699) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
PubChem CID102819699
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
SMILESCC1(C)CN(C[C@@H]2CCCN2)CC(C)(C)O1
InChIInChI=1S/C13H26N2O/c1-12(2)9-15(10-13(3,4)16-12)8-11-6-5-7-14-11/h11,14H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyCLQMBQRTDCSPPO-NSHDSACASA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
CID 93204728
2-(pyrrolidin-2-ylmethyl)-2-azaspiro[3.5]nonane
CID 79677168
2,6-dimethyl-4-[[(2R)-pyrrolidin-2-yl]methyl]morpholine
CID 102819326
(2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine
CID 17389845
(2R,6R)-2,6-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
CID 28597159
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110
4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine
CID 102744375
7,7-dimethyl-4-(pyrrolidin-2-ylmethyl)-1,4-thiazepane
CID 107455301
(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142354137
3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine
CID 115023488

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of 2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine (CID 102819699) is 2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine is CC1(C)CN(C[C@@H]2CCCN2)CC(C)(C)O1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine?
The InChIKey is CLQMBQRTDCSPPO-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)9-15(10-13(3,4)16-12)8-11-6-5-7-14-11/h11,14H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of 2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine?
2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 102819699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).