2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione

C21H38N2O4 — CID 136512690

IUPAC2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione
SMILESCC1CN(C(=O)CCC(C)(C)C(=O)N2CC(C)OC(C)(C)C2)CC(C)(C)O1
InChIInChI=1S/C21H38N2O4/c1-15-11-22(13-20(5,6)26-15)17(24)9-10-19(3,4)18(25)23-12-16(2)27-21(7,8)14-23/h15-16H,9-14H2,1-8H3
InChIKeyQZOGXLUSRQICCQ-UHFFFAOYSA-N
MW382.55 g/mol
LogP2.84
Rot. Bonds4

About 2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione

2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione (PubChem CID 136512690) has the molecular formula C21H38N2O4 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione.

Molecular Properties

Compound Name2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione
PubChem CID136512690
Molecular FormulaC21H38N2O4
Molecular Weight382.55 g/mol
Exact Mass382.28
IUPAC Name2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione
SMILESCC1CN(C(=O)CCC(C)(C)C(=O)N2CC(C)OC(C)(C)C2)CC(C)(C)O1
InChIInChI=1S/C21H38N2O4/c1-15-11-22(13-20(5,6)26-15)17(24)9-10-19(3,4)18(25)23-12-16(2)27-21(7,8)14-23/h15-16H,9-14H2,1-8H3
InChIKeyQZOGXLUSRQICCQ-UHFFFAOYSA-N
XLogP2.84
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione with MolForge

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Related Compounds

2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 131155747
2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
CID 80549965
2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 78958244
2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
CID 79810878
2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile
CID 114291386
2-[methoxy(methyl)amino]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 166255971
N,N-diethyl-2,2,6-trimethylmorpholine-4-carboxamide
CID 115618659
(1-aminocyclopropyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 119748927
2-amino-2-phenyl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120590196
4-amino-4-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one
CID 102743762
4-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]benzenecarbothioamide
CID 63611846
1-methyl-3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 48689001

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione?
The IUPAC name of 2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione (CID 136512690) is 2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione.
What is the SMILES notation for 2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione?
The canonical SMILES for 2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione is CC1CN(C(=O)CCC(C)(C)C(=O)N2CC(C)OC(C)(C)C2)CC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione?
The InChIKey is QZOGXLUSRQICCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O4/c1-15-11-22(13-20(5,6)26-15)17(24)9-10-19(3,4)18(25)23-12-16(2)27-21(7,8)14-23/h15-16H,9-14H2,1-8H3.
What are the key properties of 2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione?
2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione has a molecular weight of 382.55 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione is sourced from PubChem (CID 136512690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).