2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile

C10H18N2O2 — CID 114775428

IUPAC2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile
SMILESCC(C#N)OCC1CNCC(C)(C)O1
InChIInChI=1S/C10H18N2O2/c1-8(4-11)13-6-9-5-12-7-10(2,3)14-9/h8-9,12H,5-7H2,1-3H3
InChIKeyLTJCSCHEDOIHIC-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.68
Rot. Bonds3

About 2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile

2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile (PubChem CID 114775428) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile.

Molecular Properties

Compound Name2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile
PubChem CID114775428
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile
SMILESCC(C#N)OCC1CNCC(C)(C)O1
InChIInChI=1S/C10H18N2O2/c1-8(4-11)13-6-9-5-12-7-10(2,3)14-9/h8-9,12H,5-7H2,1-3H3
InChIKeyLTJCSCHEDOIHIC-UHFFFAOYSA-N
XLogP0.68
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanamide
CID 114775566
4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile
CID 114775943
6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile
CID 114775825
2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]morpholine
CID 114775589
3-[(6,6-dimethylmorpholin-2-yl)methoxy]-N,N-dimethylpropan-1-amine
CID 114775638
2,2-dimethyl-6-(oxolan-3-ylmethoxymethyl)morpholine
CID 114775329
2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-(3-methylbutyl)acetamide
CID 114775479
6-(2-cyclopropylethyl)-2,2-dimethylmorpholine
CID 130847158
2,2-dimethyl-6-[(3-propan-2-ylimidazol-4-yl)methoxymethyl]morpholine
CID 106939028
6-[(2-iodo-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine
CID 114775752
2,2-dimethyl-6-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxymethyl]morpholine
CID 114775692
4-[(6,6-dimethylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114775696

Frequently Asked Questions

What is the IUPAC name of 2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile?
The IUPAC name of 2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile (CID 114775428) is 2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile.
What is the SMILES notation for 2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile?
The canonical SMILES for 2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile is CC(C#N)OCC1CNCC(C)(C)O1.
What is the InChIKey of 2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile?
The InChIKey is LTJCSCHEDOIHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(4-11)13-6-9-5-12-7-10(2,3)14-9/h8-9,12H,5-7H2,1-3H3.
What are the key properties of 2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile?
2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile has a molecular weight of 198.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile is sourced from PubChem (CID 114775428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).