N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine

C12H23N3O — CID 3590525

IUPACN-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine
SMILESCC(C)(C)/N=C/C1=NC(C)(C)N(O)C1(C)C
InChIInChI=1S/C12H23N3O/c1-10(2,3)13-8-9-11(4,5)15(16)12(6,7)14-9/h8,16H,1-7H3/b13-8+
InChIKeyNBFDCJBIRYFODA-MDWZMJQESA-N
MW225.34 g/mol
LogP2.52
Rot. Bonds1

About N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine

N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine (PubChem CID 3590525) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine
PubChem CID3590525
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine
SMILESCC(C)(C)/N=C/C1=NC(C)(C)N(O)C1(C)C
InChIInChI=1S/C12H23N3O/c1-10(2,3)13-8-9-11(4,5)15(16)12(6,7)14-9/h8,16H,1-7H3/b13-8+
InChIKeyNBFDCJBIRYFODA-MDWZMJQESA-N
XLogP2.52
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine 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 N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine?
The IUPAC name of N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine (CID 3590525) is N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine?
The canonical SMILES for N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine is CC(C)(C)/N=C/C1=NC(C)(C)N(O)C1(C)C.
What is the InChIKey of N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine?
The InChIKey is NBFDCJBIRYFODA-MDWZMJQESA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(2,3)13-8-9-11(4,5)15(16)12(6,7)14-9/h8,16H,1-7H3/b13-8+.
What are the key properties of N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine?
N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine has a molecular weight of 225.34 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine is sourced from PubChem (CID 3590525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).