6,6-dimethylmorpholine-3-carbonitrile

C7H12N2O — CID 82418197

IUPAC6,6-dimethylmorpholine-3-carbonitrile
SMILESCC1(C)CNC(C#N)CO1
InChIInChI=1S/C7H12N2O/c1-7(2)5-9-6(3-8)4-10-7/h6,9H,4-5H2,1-2H3
InChIKeyFMCPIMNTIBAZTG-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.28
Rot. Bonds

About 6,6-dimethylmorpholine-3-carbonitrile

6,6-dimethylmorpholine-3-carbonitrile (PubChem CID 82418197) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 6,6-dimethylmorpholine-3-carbonitrile.

Molecular Properties

Compound Name6,6-dimethylmorpholine-3-carbonitrile
PubChem CID82418197
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name6,6-dimethylmorpholine-3-carbonitrile
SMILESCC1(C)CNC(C#N)CO1
InChIInChI=1S/C7H12N2O/c1-7(2)5-9-6(3-8)4-10-7/h6,9H,4-5H2,1-2H3
InChIKeyFMCPIMNTIBAZTG-UHFFFAOYSA-N
XLogP0.28
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,6-trimethyl-1,4-oxazepane
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piperidine-2-carbonitrile
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5-tert-butylpiperazine-2-carbonitrile
CID 154601249
tert-butyl 5-cyano-2,2-dimethylmorpholine-4-carboxylate
CID 155291753
(4S)-4-tert-butyl-2,2-dimethyloxolane
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2-ethyl-1,3-oxazolidine-4-carbonitrile
CID 143027546
2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 65101979
bis((2S)-azetidine-2-carbonitrile);oxalic acid
CID 127263309
4,4-dimethylpyrrolidine-3-carbonitrile
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1-methylimidazolidine-4-carbonitrile
CID 67242160

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylmorpholine-3-carbonitrile?
The IUPAC name of 6,6-dimethylmorpholine-3-carbonitrile (CID 82418197) is 6,6-dimethylmorpholine-3-carbonitrile.
What is the SMILES notation for 6,6-dimethylmorpholine-3-carbonitrile?
The canonical SMILES for 6,6-dimethylmorpholine-3-carbonitrile is CC1(C)CNC(C#N)CO1.
What is the InChIKey of 6,6-dimethylmorpholine-3-carbonitrile?
The InChIKey is FMCPIMNTIBAZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(2)5-9-6(3-8)4-10-7/h6,9H,4-5H2,1-2H3.
What are the key properties of 6,6-dimethylmorpholine-3-carbonitrile?
6,6-dimethylmorpholine-3-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylmorpholine-3-carbonitrile is sourced from PubChem (CID 82418197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).