N-hydroxy-4-methylcyclohexan-1-amine oxide

C7H15NO2 — CID 163989448

IUPACN-hydroxy-4-methylcyclohexan-1-amine oxide
SMILESCC1CCC([NH+]([O-])O)CC1
InChIInChI=1S/C7H15NO2/c1-6-2-4-7(5-3-6)8(9)10/h6-9H,2-5H2,1H3
InChIKeyTZHRXFOGYBFQMM-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.34
Rot. Bonds1

About N-hydroxy-4-methylcyclohexan-1-amine oxide

N-hydroxy-4-methylcyclohexan-1-amine oxide (PubChem CID 163989448) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-hydroxy-4-methylcyclohexan-1-amine oxide.

Molecular Properties

Compound NameN-hydroxy-4-methylcyclohexan-1-amine oxide
PubChem CID163989448
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-hydroxy-4-methylcyclohexan-1-amine oxide
SMILESCC1CCC([NH+]([O-])O)CC1
InChIInChI=1S/C7H15NO2/c1-6-2-4-7(5-3-6)8(9)10/h6-9H,2-5H2,1H3
InChIKeyTZHRXFOGYBFQMM-UHFFFAOYSA-N
XLogP0.34
TPSA47.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethylcyclohexane;methanol
CID 70358527
4-[2-(2,4-dimethylpiperidin-1-ium-1-yl)acetyl]-N-hydroxycyclohexan-1-amine oxide
CID 163166433
bis(1,4-dimethylcyclohexane);methane
CID 161326462
N-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide
CID 163171817
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
indium(3+);tris(4-methylcyclohexane-1-carboxylate)
CID 22604168
4-methylcyclohexan-1-ol
CID 11524
ethane;methylcyclopropane
CID 158329065
1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane
CID 140550481
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen
CID 160864488
tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
CID 160985954

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-methylcyclohexan-1-amine oxide?
The IUPAC name of N-hydroxy-4-methylcyclohexan-1-amine oxide (CID 163989448) is N-hydroxy-4-methylcyclohexan-1-amine oxide.
What is the SMILES notation for N-hydroxy-4-methylcyclohexan-1-amine oxide?
The canonical SMILES for N-hydroxy-4-methylcyclohexan-1-amine oxide is CC1CCC([NH+]([O-])O)CC1.
What is the InChIKey of N-hydroxy-4-methylcyclohexan-1-amine oxide?
The InChIKey is TZHRXFOGYBFQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6-2-4-7(5-3-6)8(9)10/h6-9H,2-5H2,1H3.
What are the key properties of N-hydroxy-4-methylcyclohexan-1-amine oxide?
N-hydroxy-4-methylcyclohexan-1-amine oxide has a molecular weight of 145.20 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methylcyclohexan-1-amine oxide is sourced from PubChem (CID 163989448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).