3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile

C11H20N2O — CID 115248052

IUPAC3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC(C)(C)C)CC1(C#N)COC1
InChIInChI=1S/C11H20N2O/c1-10(2,3)6-13(4)7-11(5-12)8-14-9-11/h6-9H2,1-4H3
InChIKeyNGGFPIGLSYISCD-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.50
Rot. Bonds3

About 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile

3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115248052) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115248052
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC(C)(C)C)CC1(C#N)COC1
InChIInChI=1S/C11H20N2O/c1-10(2,3)6-13(4)7-11(5-12)8-14-9-11/h6-9H2,1-4H3
InChIKeyNGGFPIGLSYISCD-UHFFFAOYSA-N
XLogP1.50
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile (CID 115248052) is 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile is CN(CC(C)(C)C)CC1(C#N)COC1.
What is the InChIKey of 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is NGGFPIGLSYISCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2,3)6-13(4)7-11(5-12)8-14-9-11/h6-9H2,1-4H3.
What are the key properties of 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile?
3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 196.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).