2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile

C13H22N2O2 — CID 114291386

IUPAC2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile
SMILESCCC(C)(C#N)C(=O)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C13H22N2O2/c1-6-13(5,8-14)11(16)15-7-10(2)17-12(3,4)9-15/h10H,6-7,9H2,1-5H3
InChIKeyWYCPMYWEKSRASH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.95
Rot. Bonds2

About 2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile

2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile (PubChem CID 114291386) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile.

Molecular Properties

Compound Name2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile
PubChem CID114291386
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile
SMILESCCC(C)(C#N)C(=O)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C13H22N2O2/c1-6-13(5,8-14)11(16)15-7-10(2)17-12(3,4)9-15/h10H,6-7,9H2,1-5H3
InChIKeyWYCPMYWEKSRASH-UHFFFAOYSA-N
XLogP1.95
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione
CID 136512690
2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
CID 79810878
2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile
CID 114290889
2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
CID 80549965
2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 131155747
N,N-diethyl-2,2,6-trimethylmorpholine-4-carboxamide
CID 115618659
(2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile
CID 164642267
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile
CID 102957679
3-bromo-1-(2,2,6-trimethylmorpholin-4-yl)prop-2-yn-1-one
CID 131064900
2-amino-2-phenyl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120590196
1-(2,2,6-trimethylmorpholin-4-yl)but-2-en-1-one
CID 78976791
2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 78958244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile?
The IUPAC name of 2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile (CID 114291386) is 2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile.
What is the SMILES notation for 2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile?
The canonical SMILES for 2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile is CCC(C)(C#N)C(=O)N1CC(C)OC(C)(C)C1.
What is the InChIKey of 2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile?
The InChIKey is WYCPMYWEKSRASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-13(5,8-14)11(16)15-7-10(2)17-12(3,4)9-15/h10H,6-7,9H2,1-5H3.
What are the key properties of 2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile?
2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile has a molecular weight of 238.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile is sourced from PubChem (CID 114291386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).