2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile

C11H22N2O — CID 22598552

IUPAC2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile
SMILESCC(C)N(OC(C)(C)C#N)C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-9(2)13(10(3,4)5)14-11(6,7)8-12/h9H,1-7H3
InChIKeyVZPMJJGILZCEER-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.73
Rot. Bonds3

About 2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile

2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile (PubChem CID 22598552) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile
PubChem CID22598552
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile
SMILESCC(C)N(OC(C)(C)C#N)C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-9(2)13(10(3,4)5)14-11(6,7)8-12/h9H,1-7H3
InChIKeyVZPMJJGILZCEER-UHFFFAOYSA-N
XLogP2.73
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile?
The IUPAC name of 2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile (CID 22598552) is 2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile.
What is the SMILES notation for 2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile?
The canonical SMILES for 2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile is CC(C)N(OC(C)(C)C#N)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile?
The InChIKey is VZPMJJGILZCEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)13(10(3,4)5)14-11(6,7)8-12/h9H,1-7H3.
What are the key properties of 2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile?
2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile has a molecular weight of 198.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(propan-2-yl)amino]oxy-2-methylpropanenitrile is sourced from PubChem (CID 22598552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).