N'-benzylethanimidamide;hydrobromide

C9H13BrN2 — CID 25231659

IUPACN'-benzylethanimidamide;hydrobromide
SMILESBr.C/C(N)=N\Cc1ccccc1
InChIInChI=1S/C9H12N2.BrH/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3,(H2,10,11);1H
InChIKeyRUQJDXJQOUUQHG-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.14
Rot. Bonds2

About N'-benzylethanimidamide;hydrobromide

N'-benzylethanimidamide;hydrobromide (PubChem CID 25231659) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is N'-benzylethanimidamide;hydrobromide.

Molecular Properties

Compound NameN'-benzylethanimidamide;hydrobromide
PubChem CID25231659
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC NameN'-benzylethanimidamide;hydrobromide
SMILESBr.C/C(N)=N\Cc1ccccc1
InChIInChI=1S/C9H12N2.BrH/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3,(H2,10,11);1H
InChIKeyRUQJDXJQOUUQHG-UHFFFAOYSA-N
XLogP2.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-benzylethanimidamide;hydrobromide 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'-benzylethanimidamide;hydrobromide?
The IUPAC name of N'-benzylethanimidamide;hydrobromide (CID 25231659) is N'-benzylethanimidamide;hydrobromide.
What is the SMILES notation for N'-benzylethanimidamide;hydrobromide?
The canonical SMILES for N'-benzylethanimidamide;hydrobromide is Br.C/C(N)=N\Cc1ccccc1.
What is the InChIKey of N'-benzylethanimidamide;hydrobromide?
The InChIKey is RUQJDXJQOUUQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.BrH/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3,(H2,10,11);1H.
What are the key properties of N'-benzylethanimidamide;hydrobromide?
N'-benzylethanimidamide;hydrobromide has a molecular weight of 229.12 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzylethanimidamide;hydrobromide is sourced from PubChem (CID 25231659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).