oxido-propan-2-ylimino-propan-2-yloxyazanium

C6H14N2O2 — CID 119098586

IUPACoxido-propan-2-ylimino-propan-2-yloxyazanium
SMILESCC(C)/N=[N+](\[O-])OC(C)C
InChIInChI=1S/C6H14N2O2/c1-5(2)7-8(9)10-6(3)4/h5-6H,1-4H3/b8-7+
InChIKeyVICLUDKDWXWCMD-BQYQJAHWSA-N
MW146.19 g/mol
LogP1.70
Rot. Bonds3

About oxido-propan-2-ylimino-propan-2-yloxyazanium

oxido-propan-2-ylimino-propan-2-yloxyazanium (PubChem CID 119098586) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is oxido-propan-2-ylimino-propan-2-yloxyazanium.

Molecular Properties

Compound Nameoxido-propan-2-ylimino-propan-2-yloxyazanium
PubChem CID119098586
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameoxido-propan-2-ylimino-propan-2-yloxyazanium
SMILESCC(C)/N=[N+](\[O-])OC(C)C
InChIInChI=1S/C6H14N2O2/c1-5(2)7-8(9)10-6(3)4/h5-6H,1-4H3/b8-7+
InChIKeyVICLUDKDWXWCMD-BQYQJAHWSA-N
XLogP1.70
TPSA47.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze oxido-propan-2-ylimino-propan-2-yloxyazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxido-propan-2-ylimino-propan-2-yloxyazanium?
The IUPAC name of oxido-propan-2-ylimino-propan-2-yloxyazanium (CID 119098586) is oxido-propan-2-ylimino-propan-2-yloxyazanium.
What is the SMILES notation for oxido-propan-2-ylimino-propan-2-yloxyazanium?
The canonical SMILES for oxido-propan-2-ylimino-propan-2-yloxyazanium is CC(C)/N=[N+](\[O-])OC(C)C.
What is the InChIKey of oxido-propan-2-ylimino-propan-2-yloxyazanium?
The InChIKey is VICLUDKDWXWCMD-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-5(2)7-8(9)10-6(3)4/h5-6H,1-4H3/b8-7+.
What are the key properties of oxido-propan-2-ylimino-propan-2-yloxyazanium?
oxido-propan-2-ylimino-propan-2-yloxyazanium has a molecular weight of 146.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-propan-2-ylimino-propan-2-yloxyazanium is sourced from PubChem (CID 119098586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).