(2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine

C20H38N2O2 — CID 98786803

IUPAC(2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine
SMILESC[C@@H]1CN(C[C@@H]2CCCN2CCO[C@@H]2CCCC[C@@H]2C)C[C@@H](C)O1
InChIInChI=1S/C20H38N2O2/c1-16-7-4-5-9-20(16)23-12-11-22-10-6-8-19(22)15-21-13-17(2)24-18(3)14-21/h16-20H,4-15H2,1-3H3/t16-,17+,18+,19-,20+/m0/s1
InChIKeyXVQQHNYNPHYWAR-MFKWGIFDSA-N
MW338.54 g/mol
LogP3.16
Rot. Bonds6

About (2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine

(2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine (PubChem CID 98786803) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine
PubChem CID98786803
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name(2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine
SMILESC[C@@H]1CN(C[C@@H]2CCCN2CCO[C@@H]2CCCC[C@@H]2C)C[C@@H](C)O1
InChIInChI=1S/C20H38N2O2/c1-16-7-4-5-9-20(16)23-12-11-22-10-6-8-19(22)15-21-13-17(2)24-18(3)14-21/h16-20H,4-15H2,1-3H3/t16-,17+,18+,19-,20+/m0/s1
InChIKeyXVQQHNYNPHYWAR-MFKWGIFDSA-N
XLogP3.16
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine
CID 124867185
2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol
CID 111332764
1-[[(2S)-1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 129427030
4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol
CID 110931949
(2R)-2-ethyl-1-(2-methoxyethyl)-4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]piperazine
CID 124840342
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
CID 95284863
1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
CID 94827999
6-[[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 100848655
(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine
CID 124826688
N-cyclopropyl-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 56799450
N-cyclopropyl-2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 95171694
[3-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752742

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine (CID 98786803) is (2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine is C[C@@H]1CN(C[C@@H]2CCCN2CCO[C@@H]2CCCC[C@@H]2C)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine?
The InChIKey is XVQQHNYNPHYWAR-MFKWGIFDSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-16-7-4-5-9-20(16)23-12-11-22-10-6-8-19(22)15-21-13-17(2)24-18(3)14-21/h16-20H,4-15H2,1-3H3/t16-,17+,18+,19-,20+/m0/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine?
(2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine has a molecular weight of 338.54 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 98786803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).