1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine

C13H27N3O2 — CID 177369359

IUPAC1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine
SMILESCCOCC(C)(C)OCCN1CCN(C)/C1=N\C
InChIInChI=1S/C13H27N3O2/c1-6-17-11-13(2,3)18-10-9-16-8-7-15(5)12(16)14-4/h6-11H2,1-5H3/b14-12+
InChIKeyVBILWQHXOLPWMN-WYMLVPIESA-N
MW257.38 g/mol
LogP1.05
Rot. Bonds7

About 1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine

1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine (PubChem CID 177369359) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine.

Molecular Properties

Compound Name1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine
PubChem CID177369359
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine
SMILESCCOCC(C)(C)OCCN1CCN(C)/C1=N\C
InChIInChI=1S/C13H27N3O2/c1-6-17-11-13(2,3)18-10-9-16-8-7-15(5)12(16)14-4/h6-11H2,1-5H3/b14-12+
InChIKeyVBILWQHXOLPWMN-WYMLVPIESA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine 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 1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine?
The IUPAC name of 1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine (CID 177369359) is 1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine.
What is the SMILES notation for 1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine?
The canonical SMILES for 1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine is CCOCC(C)(C)OCCN1CCN(C)/C1=N\C.
What is the InChIKey of 1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine?
The InChIKey is VBILWQHXOLPWMN-WYMLVPIESA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-17-11-13(2,3)18-10-9-16-8-7-15(5)12(16)14-4/h6-11H2,1-5H3/b14-12+.
What are the key properties of 1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine?
1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine has a molecular weight of 257.38 g/mol, XLogP of 1.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine is sourced from PubChem (CID 177369359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).