2-N'-(2-phenylethyl)ethanediimidamide

C10H14N4 — CID 70522604

IUPAC2-N'-(2-phenylethyl)ethanediimidamide
SMILES[H]/N=C(N)/C(N)=N/CCc1ccccc1
InChIInChI=1S/C10H14N4/c11-9(12)10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12)(H2,13,14)
InChIKeyWBNBYLQEOKDVFG-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.52
Rot. Bonds3

About 2-N'-(2-phenylethyl)ethanediimidamide

2-N'-(2-phenylethyl)ethanediimidamide (PubChem CID 70522604) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-N'-(2-phenylethyl)ethanediimidamide.

Molecular Properties

Compound Name2-N'-(2-phenylethyl)ethanediimidamide
PubChem CID70522604
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-N'-(2-phenylethyl)ethanediimidamide
SMILES[H]/N=C(N)/C(N)=N/CCc1ccccc1
InChIInChI=1S/C10H14N4/c11-9(12)10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12)(H2,13,14)
InChIKeyWBNBYLQEOKDVFG-UHFFFAOYSA-N
XLogP0.52
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N'-(2-phenylethyl)ethanediimidamide 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 2-N'-(2-phenylethyl)ethanediimidamide?
The IUPAC name of 2-N'-(2-phenylethyl)ethanediimidamide (CID 70522604) is 2-N'-(2-phenylethyl)ethanediimidamide.
What is the SMILES notation for 2-N'-(2-phenylethyl)ethanediimidamide?
The canonical SMILES for 2-N'-(2-phenylethyl)ethanediimidamide is [H]/N=C(N)/C(N)=N/CCc1ccccc1.
What is the InChIKey of 2-N'-(2-phenylethyl)ethanediimidamide?
The InChIKey is WBNBYLQEOKDVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c11-9(12)10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12)(H2,13,14).
What are the key properties of 2-N'-(2-phenylethyl)ethanediimidamide?
2-N'-(2-phenylethyl)ethanediimidamide has a molecular weight of 190.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-(2-phenylethyl)ethanediimidamide is sourced from PubChem (CID 70522604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).