2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile

C13H24N2O — CID 43802968

IUPAC2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile
SMILESCCC(C)CC(C#N)(CC)N1CCOCC1
InChIInChI=1S/C13H24N2O/c1-4-12(3)10-13(5-2,11-14)15-6-8-16-9-7-15/h12H,4-10H2,1-3H3
InChIKeySCAUVWLKWCAEAV-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.43
Rot. Bonds5

About 2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile

2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile (PubChem CID 43802968) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile.

Molecular Properties

Compound Name2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile
PubChem CID43802968
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile
SMILESCCC(C)CC(C#N)(CC)N1CCOCC1
InChIInChI=1S/C13H24N2O/c1-4-12(3)10-13(5-2,11-14)15-6-8-16-9-7-15/h12H,4-10H2,1-3H3
InChIKeySCAUVWLKWCAEAV-UHFFFAOYSA-N
XLogP2.43
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.43
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
1-[2-(2-Methylpropoxy)ethyl]piperidine-4-carbonitrile
CID 121524183
4-(2-Ethylhexyl)morpholine
CID 250521
4-(4-Propylheptan-4-yl)morpholine
CID 3049087
4,4-Difluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 117737864
4-Fluoro-4-methyl-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 145559770
4-Methyl-2-morpholino-2-cyanopentane
CID 43802979

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile?
The IUPAC name of 2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile (CID 43802968) is 2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile.
What is the SMILES notation for 2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile?
The canonical SMILES for 2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile is CCC(C)CC(C#N)(CC)N1CCOCC1.
What is the InChIKey of 2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile?
The InChIKey is SCAUVWLKWCAEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-12(3)10-13(5-2,11-14)15-6-8-16-9-7-15/h12H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile?
2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile has a molecular weight of 224.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-2-morpholin-4-ylhexanenitrile is sourced from PubChem (CID 43802968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).