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

C13H25N3O — CID 102745417

IUPAC2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile
SMILESCNC(C#N)CCN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C13H25N3O/c1-12(2)9-16(10-13(3,4)17-12)7-6-11(8-14)15-5/h11,15H,6-7,9-10H2,1-5H3
InChIKeyUUZGBQWFFUPUKF-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.38
Rot. Bonds4

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

2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile (PubChem CID 102745417) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile.

Molecular Properties

Compound Name2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile
PubChem CID102745417
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile
SMILESCNC(C#N)CCN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C13H25N3O/c1-12(2)9-16(10-13(3,4)17-12)7-6-11(8-14)15-5/h11,15H,6-7,9-10H2,1-5H3
InChIKeyUUZGBQWFFUPUKF-UHFFFAOYSA-N
XLogP1.38
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63159348
2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile
CID 63029852
2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile
CID 63027552
2-(propan-2-ylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-ol
CID 102746406
4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63029104
N-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102743494
2-methyl-N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]propan-1-amine
CID 102745978
2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile
CID 102743878
4-(4-ethoxypiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63027329
4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-ol
CID 102745117
1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
CID 102745848
2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile
CID 106710148

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile?
The IUPAC name of 2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile (CID 102745417) is 2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile.
What is the SMILES notation for 2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile?
The canonical SMILES for 2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile is CNC(C#N)CCN1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile?
The InChIKey is UUZGBQWFFUPUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-12(2)9-16(10-13(3,4)17-12)7-6-11(8-14)15-5/h11,15H,6-7,9-10H2,1-5H3.
What are the key properties of 2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile?
2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile has a molecular weight of 239.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile is sourced from PubChem (CID 102745417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).