4-(2-ethylhexyl)morpholine-2-carbonitrile

C13H24N2O — CID 79674455

IUPAC4-(2-ethylhexyl)morpholine-2-carbonitrile
SMILESCCCCC(CC)CN1CCOC(C#N)C1
InChIInChI=1S/C13H24N2O/c1-3-5-6-12(4-2)10-15-7-8-16-13(9-14)11-15/h12-13H,3-8,10-11H2,1-2H3
InChIKeyIOKSKWQZKCMDKX-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.43
Rot. Bonds6

About 4-(2-ethylhexyl)morpholine-2-carbonitrile

4-(2-ethylhexyl)morpholine-2-carbonitrile (PubChem CID 79674455) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(2-ethylhexyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-ethylhexyl)morpholine-2-carbonitrile
PubChem CID79674455
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-(2-ethylhexyl)morpholine-2-carbonitrile
SMILESCCCCC(CC)CN1CCOC(C#N)C1
InChIInChI=1S/C13H24N2O/c1-3-5-6-12(4-2)10-15-7-8-16-13(9-14)11-15/h12-13H,3-8,10-11H2,1-2H3
InChIKeyIOKSKWQZKCMDKX-UHFFFAOYSA-N
XLogP2.43
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

2-(chloromethyl)-4-(2-ethylhexyl)morpholine
CID 81210479
4-(2,2-difluoroethyl)morpholine-2-carbonitrile
CID 78958703
4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile
CID 104563060
methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate
CID 79674895
[4-(2-ethylbutyl)morpholin-2-yl]methanamine
CID 82924060
4-(2-oxobutyl)morpholine-2-carbonitrile
CID 79675265
4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile
CID 79674172
4-but-2-ynylmorpholine-2-carbonitrile
CID 112734337
4-(3-methoxypropyl)morpholine-2-carbonitrile
CID 112734096
4-[3-(methylamino)propyl]morpholine-2-carbonitrile
CID 79681736
4-(2-fluoroethyl)morpholine-2-carbonitrile
CID 80601541
1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
CID 107817900

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-ethylhexyl)morpholine-2-carbonitrile (CID 79674455) is 4-(2-ethylhexyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-ethylhexyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-ethylhexyl)morpholine-2-carbonitrile is CCCCC(CC)CN1CCOC(C#N)C1.
What is the InChIKey of 4-(2-ethylhexyl)morpholine-2-carbonitrile?
The InChIKey is IOKSKWQZKCMDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-5-6-12(4-2)10-15-7-8-16-13(9-14)11-15/h12-13H,3-8,10-11H2,1-2H3.
What are the key properties of 4-(2-ethylhexyl)morpholine-2-carbonitrile?
4-(2-ethylhexyl)morpholine-2-carbonitrile has a molecular weight of 224.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).