N-hydroxybutan-2-amine oxide;manganese

C4H11MnNO2 — CID 163957457

IUPACN-hydroxybutan-2-amine oxide;manganese
SMILESCCC(C)[NH+]([O-])O.[Mn]
InChIInChI=1S/C4H11NO2.Mn/c1-3-4(2)5(6)7;/h4-6H,3H2,1-2H3;
InChIKeyIKEPILMATDCUFX-UHFFFAOYSA-N
MW160.07 g/mol
LogP-0.45
Rot. Bonds2

About N-hydroxybutan-2-amine oxide;manganese

N-hydroxybutan-2-amine oxide;manganese (PubChem CID 163957457) has the molecular formula C4H11MnNO2 and a molecular weight of 160.07 g/mol. Its IUPAC name is N-hydroxybutan-2-amine oxide;manganese.

Molecular Properties

Compound NameN-hydroxybutan-2-amine oxide;manganese
PubChem CID163957457
Molecular FormulaC4H11MnNO2
Molecular Weight160.07 g/mol
Exact Mass160.02
IUPAC NameN-hydroxybutan-2-amine oxide;manganese
SMILESCCC(C)[NH+]([O-])O.[Mn]
InChIInChI=1S/C4H11NO2.Mn/c1-3-4(2)5(6)7;/h4-6H,3H2,1-2H3;
InChIKeyIKEPILMATDCUFX-UHFFFAOYSA-N
XLogP-0.45
TPSA47.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.07
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hydroxybutan-2-amine oxide;manganese with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl(methyl)phosphanium iodate
CID 158924304
aluminum;propan-1-ol;tris(propan-2-olate)
CID 175745399
propanoate;triethyl(propan-2-yl)phosphanium
CID 18356155
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
trilithium;tris(butan-2-olate)
CID 162372928
pentakis(butan-2-ol);molybdenum
CID 152613437
aluminum butan-2-ol
CID 23623700
1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide
CID 18519471
hydroxylamine;2-methylbutane
CID 175063986
CID 157498325
CID 157498325
tris(butan-2-ol);gallane
CID 175569742

Frequently Asked Questions

What is the IUPAC name of N-hydroxybutan-2-amine oxide;manganese?
The IUPAC name of N-hydroxybutan-2-amine oxide;manganese (CID 163957457) is N-hydroxybutan-2-amine oxide;manganese.
What is the SMILES notation for N-hydroxybutan-2-amine oxide;manganese?
The canonical SMILES for N-hydroxybutan-2-amine oxide;manganese is CCC(C)[NH+]([O-])O.[Mn].
What is the InChIKey of N-hydroxybutan-2-amine oxide;manganese?
The InChIKey is IKEPILMATDCUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.Mn/c1-3-4(2)5(6)7;/h4-6H,3H2,1-2H3;.
What are the key properties of N-hydroxybutan-2-amine oxide;manganese?
N-hydroxybutan-2-amine oxide;manganese has a molecular weight of 160.07 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxybutan-2-amine oxide;manganese is sourced from PubChem (CID 163957457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).