triethyl-(propan-2-ylideneamino)oxyazanium hydroxide

C9H22N2O2 — CID 88631945

IUPACtriethyl-(propan-2-ylideneamino)oxyazanium hydroxide
SMILESCC[N+](CC)(CC)ON=C(C)C.[OH-]
InChIInChI=1S/C9H21N2O.H2O/c1-6-11(7-2,8-3)12-10-9(4)5;/h6-8H2,1-5H3;1H2/q+1;/p-1
InChIKeyZOZJWNZPTKXFSX-UHFFFAOYSA-M
MW190.29 g/mol
LogP2.01
Rot. Bonds5

About triethyl-(propan-2-ylideneamino)oxyazanium hydroxide

triethyl-(propan-2-ylideneamino)oxyazanium hydroxide (PubChem CID 88631945) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is triethyl-(propan-2-ylideneamino)oxyazanium hydroxide.

Molecular Properties

Compound Nametriethyl-(propan-2-ylideneamino)oxyazanium hydroxide
PubChem CID88631945
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Nametriethyl-(propan-2-ylideneamino)oxyazanium hydroxide
SMILESCC[N+](CC)(CC)ON=C(C)C.[OH-]
InChIInChI=1S/C9H21N2O.H2O/c1-6-11(7-2,8-3)12-10-9(4)5;/h6-8H2,1-5H3;1H2/q+1;/p-1
InChIKeyZOZJWNZPTKXFSX-UHFFFAOYSA-M
XLogP2.01
TPSA51.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze triethyl-(propan-2-ylideneamino)oxyazanium hydroxide 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 triethyl-(propan-2-ylideneamino)oxyazanium hydroxide?
The IUPAC name of triethyl-(propan-2-ylideneamino)oxyazanium hydroxide (CID 88631945) is triethyl-(propan-2-ylideneamino)oxyazanium hydroxide.
What is the SMILES notation for triethyl-(propan-2-ylideneamino)oxyazanium hydroxide?
The canonical SMILES for triethyl-(propan-2-ylideneamino)oxyazanium hydroxide is CC[N+](CC)(CC)ON=C(C)C.[OH-].
What is the InChIKey of triethyl-(propan-2-ylideneamino)oxyazanium hydroxide?
The InChIKey is ZOZJWNZPTKXFSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H21N2O.H2O/c1-6-11(7-2,8-3)12-10-9(4)5;/h6-8H2,1-5H3;1H2/q+1;/p-1.
What are the key properties of triethyl-(propan-2-ylideneamino)oxyazanium hydroxide?
triethyl-(propan-2-ylideneamino)oxyazanium hydroxide has a molecular weight of 190.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(propan-2-ylideneamino)oxyazanium hydroxide is sourced from PubChem (CID 88631945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).