2-(ditert-butylamino)oxy-2-methylpropanenitrile

C12H24N2O — CID 102037915

IUPAC2-(ditert-butylamino)oxy-2-methylpropanenitrile
SMILESCC(C)(C#N)ON(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-10(2,3)14(11(4,5)6)15-12(7,8)9-13/h1-8H3
InChIKeyOKKJPSLLFNBBDZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP3.12
Rot. Bonds2

About 2-(ditert-butylamino)oxy-2-methylpropanenitrile

2-(ditert-butylamino)oxy-2-methylpropanenitrile (PubChem CID 102037915) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(ditert-butylamino)oxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(ditert-butylamino)oxy-2-methylpropanenitrile
PubChem CID102037915
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(ditert-butylamino)oxy-2-methylpropanenitrile
SMILESCC(C)(C#N)ON(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-10(2,3)14(11(4,5)6)15-12(7,8)9-13/h1-8H3
InChIKeyOKKJPSLLFNBBDZ-UHFFFAOYSA-N
XLogP3.12
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile
CID 22598552
[1-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2-cyano-2-methylpropyl]phosphonic acid
CID 135379825
2-[tert-butyl(methyl)amino]-2-methylpropanenitrile
CID 22973010
4-(2-cyanopropan-2-yloxy)benzonitrile
CID 117052675
2-cyanopropan-2-yl prop-2-enoate
CID 87192601
2,2-dichloropropanenitrile
CID 5058831
2-fluoro-2-methylpropanenitrile
CID 10129896
2-heptan-2-ylperoxy-2-methylpropanenitrile
CID 10058598
2-tert-butyl-2,3,3-trimethylbutanenitrile
CID 20714171
ethane;2-hydroxy-2-methylpropanenitrile
CID 164588960
1-O-butyl 4-O-(2-cyanopropan-2-yl) butanedioate
CID 88616798
2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile
CID 10796849

Frequently Asked Questions

What is the IUPAC name of 2-(ditert-butylamino)oxy-2-methylpropanenitrile?
The IUPAC name of 2-(ditert-butylamino)oxy-2-methylpropanenitrile (CID 102037915) is 2-(ditert-butylamino)oxy-2-methylpropanenitrile.
What is the SMILES notation for 2-(ditert-butylamino)oxy-2-methylpropanenitrile?
The canonical SMILES for 2-(ditert-butylamino)oxy-2-methylpropanenitrile is CC(C)(C#N)ON(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-(ditert-butylamino)oxy-2-methylpropanenitrile?
The InChIKey is OKKJPSLLFNBBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2,3)14(11(4,5)6)15-12(7,8)9-13/h1-8H3.
What are the key properties of 2-(ditert-butylamino)oxy-2-methylpropanenitrile?
2-(ditert-butylamino)oxy-2-methylpropanenitrile has a molecular weight of 212.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ditert-butylamino)oxy-2-methylpropanenitrile is sourced from PubChem (CID 102037915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).