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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Related Compounds

Benzphetamine
CID 5311017
Benzyltrimethylammonium hydroxide
CID 66854
Dibenzylhydroxylamine
CID 69297
Benzyl triethylammonium chloride
CID 66133
Benzfetamine
CID 2341
Myristalkonium ion
CID 8756
Cetalkonium
CID 31203
Benzyldimethyloctylammonium chloride
CID 13740
Benzalkonium
CID 2330
Benzododecinium
CID 8754
Benzyltrimethylammonium
CID 5964
Lefetamine
CID 443970

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).