2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile

C14H26N2O — CID 102743878

IUPAC2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile
SMILESCC(C)(C#N)CCN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C14H26N2O/c1-12(2,9-15)7-8-16-10-13(3,4)17-14(5,6)11-16/h7-8,10-11H2,1-6H3
InChIKeyXWZNHMYDYZQLLC-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.82
Rot. Bonds3

About 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile

2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile (PubChem CID 102743878) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile
PubChem CID102743878
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile
SMILESCC(C)(C#N)CCN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C14H26N2O/c1-12(2,9-15)7-8-16-10-13(3,4)17-14(5,6)11-16/h7-8,10-11H2,1-6H3
InChIKeyXWZNHMYDYZQLLC-UHFFFAOYSA-N
XLogP2.82
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile
CID 106710148
2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol
CID 102745123
2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile
CID 102745446
1-amino-2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol
CID 102746437
2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide
CID 102743969
2,2-dimethyl-4-thiomorpholin-4-ylbutanenitrile
CID 65251203
2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanimidamide
CID 102744138
2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile
CID 102745417
2-amino-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-ol
CID 102746424
2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
CID 103925448
4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65250779
4-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251805

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile?
The IUPAC name of 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile (CID 102743878) is 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile is CC(C)(C#N)CCN1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile?
The InChIKey is XWZNHMYDYZQLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2,9-15)7-8-16-10-13(3,4)17-14(5,6)11-16/h7-8,10-11H2,1-6H3.
What are the key properties of 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile?
2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile has a molecular weight of 238.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile is sourced from PubChem (CID 102743878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).