3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile

C11H20N2O — CID 164656600

IUPAC3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile
SMILESCC1OCCC1(C)NCC(C)(C)C#N
InChIInChI=1S/C11H20N2O/c1-9-11(4,5-6-14-9)13-8-10(2,3)7-12/h9,13H,5-6,8H2,1-4H3
InChIKeyCJABRUAJPLDLHZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.69
Rot. Bonds3

About 3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile

3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile (PubChem CID 164656600) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile
PubChem CID164656600
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile
SMILESCC1OCCC1(C)NCC(C)(C)C#N
InChIInChI=1S/C11H20N2O/c1-9-11(4,5-6-14-9)13-8-10(2,3)7-12/h9,13H,5-6,8H2,1-4H3
InChIKeyCJABRUAJPLDLHZ-UHFFFAOYSA-N
XLogP1.69
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile?
The IUPAC name of 3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile (CID 164656600) is 3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile is CC1OCCC1(C)NCC(C)(C)C#N.
What is the InChIKey of 3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile?
The InChIKey is CJABRUAJPLDLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-11(4,5-6-14-9)13-8-10(2,3)7-12/h9,13H,5-6,8H2,1-4H3.
What are the key properties of 3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile?
3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethyloxolan-3-yl)amino]-2,2-dimethylpropanenitrile is sourced from PubChem (CID 164656600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).