N'-(1-phenylpropyl)ethanimidamide;hydrobromide

C11H17BrN2 — CID 25231660

IUPACN'-(1-phenylpropyl)ethanimidamide;hydrobromide
SMILESBr.CCC(/N=C(\C)N)c1ccccc1
InChIInChI=1S/C11H16N2.BrH/c1-3-11(13-9(2)12)10-7-5-4-6-8-10;/h4-8,11H,3H2,1-2H3,(H2,12,13);1H
InChIKeyLSKRHRPOJIIEGL-UHFFFAOYSA-N
MW257.18 g/mol
LogP3.09
Rot. Bonds3

About N'-(1-phenylpropyl)ethanimidamide;hydrobromide

N'-(1-phenylpropyl)ethanimidamide;hydrobromide (PubChem CID 25231660) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is N'-(1-phenylpropyl)ethanimidamide;hydrobromide.

Molecular Properties

Compound NameN'-(1-phenylpropyl)ethanimidamide;hydrobromide
PubChem CID25231660
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC NameN'-(1-phenylpropyl)ethanimidamide;hydrobromide
SMILESBr.CCC(/N=C(\C)N)c1ccccc1
InChIInChI=1S/C11H16N2.BrH/c1-3-11(13-9(2)12)10-7-5-4-6-8-10;/h4-8,11H,3H2,1-2H3,(H2,12,13);1H
InChIKeyLSKRHRPOJIIEGL-UHFFFAOYSA-N
XLogP3.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 53.09
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'-(1-phenylpropyl)ethanimidamide;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'-(1-phenylpropyl)ethanimidamide;hydrobromide?
The IUPAC name of N'-(1-phenylpropyl)ethanimidamide;hydrobromide (CID 25231660) is N'-(1-phenylpropyl)ethanimidamide;hydrobromide.
What is the SMILES notation for N'-(1-phenylpropyl)ethanimidamide;hydrobromide?
The canonical SMILES for N'-(1-phenylpropyl)ethanimidamide;hydrobromide is Br.CCC(/N=C(\C)N)c1ccccc1.
What is the InChIKey of N'-(1-phenylpropyl)ethanimidamide;hydrobromide?
The InChIKey is LSKRHRPOJIIEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.BrH/c1-3-11(13-9(2)12)10-7-5-4-6-8-10;/h4-8,11H,3H2,1-2H3,(H2,12,13);1H.
What are the key properties of N'-(1-phenylpropyl)ethanimidamide;hydrobromide?
N'-(1-phenylpropyl)ethanimidamide;hydrobromide has a molecular weight of 257.18 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylpropyl)ethanimidamide;hydrobromide is sourced from PubChem (CID 25231660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).