N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide

C9H13BrN2Se — CID 173065239

IUPACN'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide
SMILESBr.N/C([SeH])=N/CCc1ccccc1
InChIInChI=1S/C9H12N2Se.BrH/c10-9(12)11-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H3,10,11,12);1H
InChIKeyNQJMYAWFQDBULV-UHFFFAOYSA-N
MW308.08 g/mol
LogP1.02
Rot. Bonds3

About N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide

N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide (PubChem CID 173065239) has the molecular formula C9H13BrN2Se and a molecular weight of 308.08 g/mol. Its IUPAC name is N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide.

Molecular Properties

Compound NameN'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide
PubChem CID173065239
Molecular FormulaC9H13BrN2Se
Molecular Weight308.08 g/mol
Exact Mass307.94
IUPAC NameN'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide
SMILESBr.N/C([SeH])=N/CCc1ccccc1
InChIInChI=1S/C9H12N2Se.BrH/c10-9(12)11-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H3,10,11,12);1H
InChIKeyNQJMYAWFQDBULV-UHFFFAOYSA-N
XLogP1.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.08
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-(2-phenylethyl)guanidine;hydroiodide
CID 158954374
1,2-bis(2-phenylethyl)guanidine
CID 111022877
1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine
CID 154046017
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride
CID 657277
2-N'-(2-phenylethyl)ethanediimidamide
CID 70522604
1,1-diethyl-2-(2-phenylethyl)guanidine
CID 100672996
2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420
benzhydryl N'-(2-phenylethyl)carbamimidothioate
CID 8775421
4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride
CID 3063603
1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111031333
1-(3-methylphenyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111022869
N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide
CID 55138229

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide?
The IUPAC name of N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide (CID 173065239) is N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide.
What is the SMILES notation for N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide?
The canonical SMILES for N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide is Br.N/C([SeH])=N/CCc1ccccc1.
What is the InChIKey of N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide?
The InChIKey is NQJMYAWFQDBULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2Se.BrH/c10-9(12)11-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H3,10,11,12);1H.
What are the key properties of N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide?
N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide has a molecular weight of 308.08 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide is sourced from PubChem (CID 173065239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).