2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile

C11H20N2O — CID 115773014

IUPAC2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile
SMILESCN(CCC(C)(C)C#N)C1CCOC1
InChIInChI=1S/C11H20N2O/c1-11(2,9-12)5-6-13(3)10-4-7-14-8-10/h10H,4-8H2,1-3H3
InChIKeyOQLBKKSCBPPEHW-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.65
Rot. Bonds4

About 2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile

2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile (PubChem CID 115773014) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile
PubChem CID115773014
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile
SMILESCN(CCC(C)(C)C#N)C1CCOC1
InChIInChI=1S/C11H20N2O/c1-11(2,9-12)5-6-13(3)10-4-7-14-8-10/h10H,4-8H2,1-3H3
InChIKeyOQLBKKSCBPPEHW-UHFFFAOYSA-N
XLogP1.65
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile
CID 106709849
2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile
CID 82749419
2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile
CID 82749204
N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
CID 124729941
N-butyl-N-methyloxolan-3-amine
CID 154189060
4-[azepan-4-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 107173206
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82735583
N-(3-chloropropyl)-N-methyloxolan-3-amine
CID 82747859
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
CID 82754356
N-(9-bromononyl)-N-methyloxolan-3-amine
CID 105343849
4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile
CID 65251709
N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 82739917

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile?
The IUPAC name of 2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile (CID 115773014) is 2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile is CN(CCC(C)(C)C#N)C1CCOC1.
What is the InChIKey of 2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile?
The InChIKey is OQLBKKSCBPPEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2,9-12)5-6-13(3)10-4-7-14-8-10/h10H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile?
2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile is sourced from PubChem (CID 115773014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).