N'-(2-ethyl-2-hydroxybutyl)ethanimidamide

C8H18N2O — CID 131224250

IUPACN'-(2-ethyl-2-hydroxybutyl)ethanimidamide
SMILESCCC(O)(CC)C/N=C(\C)N
InChIInChI=1S/C8H18N2O/c1-4-8(11,5-2)6-10-7(3)9/h11H,4-6H2,1-3H3,(H2,9,10)
InChIKeyYPHDFKDQZQUJBX-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.91
Rot. Bonds4

About N'-(2-ethyl-2-hydroxybutyl)ethanimidamide

N'-(2-ethyl-2-hydroxybutyl)ethanimidamide (PubChem CID 131224250) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N'-(2-ethyl-2-hydroxybutyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-ethyl-2-hydroxybutyl)ethanimidamide
PubChem CID131224250
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN'-(2-ethyl-2-hydroxybutyl)ethanimidamide
SMILESCCC(O)(CC)C/N=C(\C)N
InChIInChI=1S/C8H18N2O/c1-4-8(11,5-2)6-10-7(3)9/h11H,4-6H2,1-3H3,(H2,9,10)
InChIKeyYPHDFKDQZQUJBX-UHFFFAOYSA-N
XLogP0.91
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(2-ethyl-2-hydroxybutyl)ethanimidamide 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'-(2-ethyl-2-hydroxybutyl)ethanimidamide?
The IUPAC name of N'-(2-ethyl-2-hydroxybutyl)ethanimidamide (CID 131224250) is N'-(2-ethyl-2-hydroxybutyl)ethanimidamide.
What is the SMILES notation for N'-(2-ethyl-2-hydroxybutyl)ethanimidamide?
The canonical SMILES for N'-(2-ethyl-2-hydroxybutyl)ethanimidamide is CCC(O)(CC)C/N=C(\C)N.
What is the InChIKey of N'-(2-ethyl-2-hydroxybutyl)ethanimidamide?
The InChIKey is YPHDFKDQZQUJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-8(11,5-2)6-10-7(3)9/h11H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of N'-(2-ethyl-2-hydroxybutyl)ethanimidamide?
N'-(2-ethyl-2-hydroxybutyl)ethanimidamide has a molecular weight of 158.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-2-hydroxybutyl)ethanimidamide is sourced from PubChem (CID 131224250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).