2,5-dimethyl-2-morpholin-4-ylhexanenitrile

C12H22N2O — CID 43803017

IUPAC2,5-dimethyl-2-morpholin-4-ylhexanenitrile
SMILESCC(C)CCC(C)(C#N)N1CCOCC1
InChIInChI=1S/C12H22N2O/c1-11(2)4-5-12(3,10-13)14-6-8-15-9-7-14/h11H,4-9H2,1-3H3
InChIKeyXPYXQBGDEQLBDB-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.04
Rot. Bonds4

About 2,5-dimethyl-2-morpholin-4-ylhexanenitrile

2,5-dimethyl-2-morpholin-4-ylhexanenitrile (PubChem CID 43803017) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,5-dimethyl-2-morpholin-4-ylhexanenitrile.

Molecular Properties

Compound Name2,5-dimethyl-2-morpholin-4-ylhexanenitrile
PubChem CID43803017
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,5-dimethyl-2-morpholin-4-ylhexanenitrile
SMILESCC(C)CCC(C)(C#N)N1CCOCC1
InChIInChI=1S/C12H22N2O/c1-11(2)4-5-12(3,10-13)14-6-8-15-9-7-14/h11H,4-9H2,1-3H3
InChIKeyXPYXQBGDEQLBDB-UHFFFAOYSA-N
XLogP2.04
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Morpholinyl)cyclohexanecarbonitrile
CID 766257
1-(Morpholin-4-yl)cyclopentane-1-carbonitrile
CID 16644595
Cyclohexanecarbonitrile, 1-morpholino-, hydrochloride
CID 3055640
3-Fluoro-4-methyl-2-morpholin-4-ylpentanenitrile
CID 46894405
2-Fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 75229714
cis-(1R,2R)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 168327546
4-(2-Methylhexyl)morpholine
CID 102491214
1-[2-(2-Methylpropoxy)ethyl]piperidine-4-carbonitrile
CID 121524183
2-Morpholino-3-methylbutyronitrile
CID 17562223
4-Methyl-2-morpholino-2-cyanopentane
CID 43802979
7-Methyl-7-morpholin-4-ylundec-5-ynedinitrile
CID 102227967
cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 46894283

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-morpholin-4-ylhexanenitrile?
The IUPAC name of 2,5-dimethyl-2-morpholin-4-ylhexanenitrile (CID 43803017) is 2,5-dimethyl-2-morpholin-4-ylhexanenitrile.
What is the SMILES notation for 2,5-dimethyl-2-morpholin-4-ylhexanenitrile?
The canonical SMILES for 2,5-dimethyl-2-morpholin-4-ylhexanenitrile is CC(C)CCC(C)(C#N)N1CCOCC1.
What is the InChIKey of 2,5-dimethyl-2-morpholin-4-ylhexanenitrile?
The InChIKey is XPYXQBGDEQLBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2)4-5-12(3,10-13)14-6-8-15-9-7-14/h11H,4-9H2,1-3H3.
What are the key properties of 2,5-dimethyl-2-morpholin-4-ylhexanenitrile?
2,5-dimethyl-2-morpholin-4-ylhexanenitrile has a molecular weight of 210.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-morpholin-4-ylhexanenitrile is sourced from PubChem (CID 43803017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).