(3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine

C17H33N3O3 — CID 155091954

IUPAC(3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine
SMILESC[C@@H]1COCC(C[C@H]2COC(C3CN(C)CCO3)CN2C)N1C
InChIInChI=1S/C17H33N3O3/c1-13-10-21-11-15(20(13)4)7-14-12-23-17(9-19(14)3)16-8-18(2)5-6-22-16/h13-17H,5-12H2,1-4H3/t13-,14+,15?,16?,17?/m1/s1
InChIKeyUJQDRIYFHJJKFF-PYIVJVRMSA-N
MW327.47 g/mol
LogP0.13
Rot. Bonds3

About (3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine

(3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine (PubChem CID 155091954) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is (3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name(3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine
PubChem CID155091954
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Name(3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine
SMILESC[C@@H]1COCC(C[C@H]2COC(C3CN(C)CCO3)CN2C)N1C
InChIInChI=1S/C17H33N3O3/c1-13-10-21-11-15(20(13)4)7-14-12-23-17(9-19(14)3)16-8-18(2)5-6-22-16/h13-17H,5-12H2,1-4H3/t13-,14+,15?,16?,17?/m1/s1
InChIKeyUJQDRIYFHJJKFF-PYIVJVRMSA-N
XLogP0.13
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine with MolForge

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Related Compounds

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CID 121357634
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(2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane
CID 161136062
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CID 90339163
2-(dichloromethyl)-4-methylmorpholine
CID 139654530
3,4-dimethylmorpholine;ethane;4-methylmorpholine
CID 145315669
4-methyl-2-(3-methylbutyl)morpholine
CID 59613546
3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine
CID 134516823
2,4-dimethylmorpholine;methanol
CID 156729518
(3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine
CID 124858887

Frequently Asked Questions

What is the IUPAC name of (3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine?
The IUPAC name of (3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine (CID 155091954) is (3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine.
What is the SMILES notation for (3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine?
The canonical SMILES for (3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine is C[C@@H]1COCC(C[C@H]2COC(C3CN(C)CCO3)CN2C)N1C.
What is the InChIKey of (3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine?
The InChIKey is UJQDRIYFHJJKFF-PYIVJVRMSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-13-10-21-11-15(20(13)4)7-14-12-23-17(9-19(14)3)16-8-18(2)5-6-22-16/h13-17H,5-12H2,1-4H3/t13-,14+,15?,16?,17?/m1/s1.
What are the key properties of (3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine?
(3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine has a molecular weight of 327.47 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine is sourced from PubChem (CID 155091954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).