2,4-dimethyl-2-morpholin-4-ylpentanenitrile

C11H20N2O — CID 43802979

IUPAC2,4-dimethyl-2-morpholin-4-ylpentanenitrile
SMILESCC(C)CC(C)(C#N)N1CCOCC1
InChIInChI=1S/C11H20N2O/c1-10(2)8-11(3,9-12)13-4-6-14-7-5-13/h10H,4-8H2,1-3H3
InChIKeyUIJDVZRLEVSLMF-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.65
Rot. Bonds3

About 2,4-dimethyl-2-morpholin-4-ylpentanenitrile

2,4-dimethyl-2-morpholin-4-ylpentanenitrile (PubChem CID 43802979) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2,4-dimethyl-2-morpholin-4-ylpentanenitrile.

Molecular Properties

Compound Name2,4-dimethyl-2-morpholin-4-ylpentanenitrile
PubChem CID43802979
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2,4-dimethyl-2-morpholin-4-ylpentanenitrile
SMILESCC(C)CC(C)(C#N)N1CCOCC1
InChIInChI=1S/C11H20N2O/c1-10(2)8-11(3,9-12)13-4-6-14-7-5-13/h10H,4-8H2,1-3H3
InChIKeyUIJDVZRLEVSLMF-UHFFFAOYSA-N
XLogP1.65
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Morpholin-4-yl)cyclopentane-1-carbonitrile
CID 16644595
3-Fluoro-4-methyl-2-morpholin-4-ylpentanenitrile
CID 46894405
1-[2-(2-Methylpropoxy)ethyl]piperidine-4-carbonitrile
CID 121524183
4-(4-Methylpentan-2-yl)morpholine
CID 13398802
2-Morpholino-3-methylbutyronitrile
CID 17562223
2-Morpholin-4-ylpentanenitrile
CID 19064099
7-Methyl-7-morpholin-4-ylundec-5-ynedinitrile
CID 102227967
6,6,6-Trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile
CID 116536039
4-Piperidinecarbonitrile, 1-(2-methoxyethyl)-
CID 39236243
2-Methyl-2-(4-morpholinyl)butanenitrile
CID 11839187
2-(Morpholin-4-ylmethyl)pentanenitrile
CID 21406124
4-(2-Methylpentan-2-yl)morpholine
CID 24784695

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-morpholin-4-ylpentanenitrile?
The IUPAC name of 2,4-dimethyl-2-morpholin-4-ylpentanenitrile (CID 43802979) is 2,4-dimethyl-2-morpholin-4-ylpentanenitrile.
What is the SMILES notation for 2,4-dimethyl-2-morpholin-4-ylpentanenitrile?
The canonical SMILES for 2,4-dimethyl-2-morpholin-4-ylpentanenitrile is CC(C)CC(C)(C#N)N1CCOCC1.
What is the InChIKey of 2,4-dimethyl-2-morpholin-4-ylpentanenitrile?
The InChIKey is UIJDVZRLEVSLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2)8-11(3,9-12)13-4-6-14-7-5-13/h10H,4-8H2,1-3H3.
What are the key properties of 2,4-dimethyl-2-morpholin-4-ylpentanenitrile?
2,4-dimethyl-2-morpholin-4-ylpentanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-morpholin-4-ylpentanenitrile is sourced from PubChem (CID 43802979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).