3-(2,6-dimethylmorpholin-2-yl)propanenitrile

C9H16N2O — CID 21444268

IUPAC3-(2,6-dimethylmorpholin-2-yl)propanenitrile
SMILESCC1CNCC(C)(CCC#N)O1
InChIInChI=1S/C9H16N2O/c1-8-6-11-7-9(2,12-8)4-3-5-10/h8,11H,3-4,6-7H2,1-2H3
InChIKeyKMPZDTNVVQFEIE-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.06
Rot. Bonds2

About 3-(2,6-dimethylmorpholin-2-yl)propanenitrile

3-(2,6-dimethylmorpholin-2-yl)propanenitrile (PubChem CID 21444268) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-2-yl)propanenitrile
PubChem CID21444268
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(2,6-dimethylmorpholin-2-yl)propanenitrile
SMILESCC1CNCC(C)(CCC#N)O1
InChIInChI=1S/C9H16N2O/c1-8-6-11-7-9(2,12-8)4-3-5-10/h8,11H,3-4,6-7H2,1-2H3
InChIKeyKMPZDTNVVQFEIE-UHFFFAOYSA-N
XLogP1.06
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-2-yl)propanenitrile?
The IUPAC name of 3-(2,6-dimethylmorpholin-2-yl)propanenitrile (CID 21444268) is 3-(2,6-dimethylmorpholin-2-yl)propanenitrile.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-2-yl)propanenitrile?
The canonical SMILES for 3-(2,6-dimethylmorpholin-2-yl)propanenitrile is CC1CNCC(C)(CCC#N)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-2-yl)propanenitrile?
The InChIKey is KMPZDTNVVQFEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8-6-11-7-9(2,12-8)4-3-5-10/h8,11H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(2,6-dimethylmorpholin-2-yl)propanenitrile?
3-(2,6-dimethylmorpholin-2-yl)propanenitrile has a molecular weight of 168.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-2-yl)propanenitrile is sourced from PubChem (CID 21444268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).