2-cyclohexyl-2-morpholin-4-ylacetonitrile

C12H20N2O — CID 12069857

IUPAC2-cyclohexyl-2-morpholin-4-ylacetonitrile
SMILESN#CC(C1CCCCC1)N1CCOCC1
InChIInChI=1S/C12H20N2O/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h11-12H,1-9H2
InChIKeyYAFQGLVHJYKWFC-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.79
Rot. Bonds2

About 2-cyclohexyl-2-morpholin-4-ylacetonitrile

2-cyclohexyl-2-morpholin-4-ylacetonitrile (PubChem CID 12069857) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-cyclohexyl-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-morpholin-4-ylacetonitrile
PubChem CID12069857
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-cyclohexyl-2-morpholin-4-ylacetonitrile
SMILESN#CC(C1CCCCC1)N1CCOCC1
InChIInChI=1S/C12H20N2O/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h11-12H,1-9H2
InChIKeyYAFQGLVHJYKWFC-UHFFFAOYSA-N
XLogP1.79
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-cyclohexyl-2-morpholin-4-ylacetonitrile (CID 12069857) is 2-cyclohexyl-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-cyclohexyl-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-cyclohexyl-2-morpholin-4-ylacetonitrile is N#CC(C1CCCCC1)N1CCOCC1.
What is the InChIKey of 2-cyclohexyl-2-morpholin-4-ylacetonitrile?
The InChIKey is YAFQGLVHJYKWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h11-12H,1-9H2.
What are the key properties of 2-cyclohexyl-2-morpholin-4-ylacetonitrile?
2-cyclohexyl-2-morpholin-4-ylacetonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 12069857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).