2-[tert-butyl(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile

C14H28N2O — CID 20591006

IUPAC2-[tert-butyl(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile
SMILESCC(N(OC(C)(C)C#N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-11(12(2,3)4)16(13(5,6)7)17-14(8,9)10-15/h11H,1-9H3
InChIKeyFIZNPXNXSDSCIB-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.76
Rot. Bonds3

About 2-[tert-butyl(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile

2-[tert-butyl(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile (PubChem CID 20591006) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[tert-butyl(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[tert-butyl(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile
PubChem CID20591006
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[tert-butyl(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile
SMILESCC(N(OC(C)(C)C#N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-11(12(2,3)4)16(13(5,6)7)17-14(8,9)10-15/h11H,1-9H3
InChIKeyFIZNPXNXSDSCIB-UHFFFAOYSA-N
XLogP3.76
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.76
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(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile?
The IUPAC name of 2-[tert-butyl(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile (CID 20591006) is 2-[tert-butyl(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile.
What is the SMILES notation for 2-[tert-butyl(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile?
The canonical SMILES for 2-[tert-butyl(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile is CC(N(OC(C)(C)C#N)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile?
The InChIKey is FIZNPXNXSDSCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(12(2,3)4)16(13(5,6)7)17-14(8,9)10-15/h11H,1-9H3.
What are the key properties of 2-[tert-butyl(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile?
2-[tert-butyl(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile has a molecular weight of 240.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(3,3-dimethylbutan-2-yl)amino]oxy-2-methylpropanenitrile is sourced from PubChem (CID 20591006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).