2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide

C14H22NO — CID 10900145

IUPAC—
SMILESCC(C)C(c1ccccc1)N([O])C(C)(C)C
InChIInChI=1S/C14H22NO/c1-11(2)13(15(16)14(3,4)5)12-9-7-6-8-10-12/h6-11,13H,1-5H3
InChIKeyVGHCMXLEZFMZOZ-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.83
Rot. Bonds3

About 2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide

2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide (PubChem CID 10900145) has the molecular formula C14H22NO and a molecular weight of 220.34 g/mol.

Molecular Properties

Compound Name2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide
PubChem CID10900145
Molecular FormulaC14H22NO
Molecular Weight220.34 g/mol
Exact Mass220.17
IUPAC Name—
SMILESCC(C)C(c1ccccc1)N([O])C(C)(C)C
InChIInChI=1S/C14H22NO/c1-11(2)13(15(16)14(3,4)5)12-9-7-6-8-10-12/h6-11,13H,1-5H3
InChIKeyVGHCMXLEZFMZOZ-UHFFFAOYSA-N
XLogP3.83
TPSA23.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide?
The IUPAC name of 2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide (CID 10900145) is not available.
What is the SMILES notation for 2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide?
The canonical SMILES for 2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide is CC(C)C(c1ccccc1)N([O])C(C)(C)C.
What is the InChIKey of 2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide?
The InChIKey is VGHCMXLEZFMZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO/c1-11(2)13(15(16)14(3,4)5)12-9-7-6-8-10-12/h6-11,13H,1-5H3.
What are the key properties of 2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide?
2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide has a molecular weight of 220.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide is sourced from PubChem (CID 10900145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).