1-amino-2-(2-phenylethyl)guanidine;hydroiodide

C9H15IN4 — CID 158954374

IUPAC1-amino-2-(2-phenylethyl)guanidine;hydroiodide
SMILESI.NN/C(N)=N/CCc1ccccc1
InChIInChI=1S/C9H14N4.HI/c10-9(13-11)12-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,11H2,(H3,10,12,13);1H
InChIKeyJLVBAFYTLPAWQJ-UHFFFAOYSA-N
MW306.15 g/mol
LogP0.63
Rot. Bonds3

About 1-amino-2-(2-phenylethyl)guanidine;hydroiodide

1-amino-2-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 158954374) has the molecular formula C9H15IN4 and a molecular weight of 306.15 g/mol. Its IUPAC name is 1-amino-2-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-amino-2-(2-phenylethyl)guanidine;hydroiodide
PubChem CID158954374
Molecular FormulaC9H15IN4
Molecular Weight306.15 g/mol
Exact Mass306.03
IUPAC Name1-amino-2-(2-phenylethyl)guanidine;hydroiodide
SMILESI.NN/C(N)=N/CCc1ccccc1
InChIInChI=1S/C9H14N4.HI/c10-9(13-11)12-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,11H2,(H3,10,12,13);1H
InChIKeyJLVBAFYTLPAWQJ-UHFFFAOYSA-N
XLogP0.63
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(2-phenylethyl)guanidine
CID 111022877
1-amino-2-[2-(3-bromophenyl)ethyl]guanidine
CID 130663054
N-[2-[[N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027913
1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111028419
N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide
CID 173065239
1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111031333
1-(3-methylphenyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111022869
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine
CID 116512281
1-amino-3-ethyl-2-(2-phenylethyl)guanidine
CID 116512277
1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111037435
1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine
CID 3013275

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-amino-2-(2-phenylethyl)guanidine;hydroiodide (CID 158954374) is 1-amino-2-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-amino-2-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-amino-2-(2-phenylethyl)guanidine;hydroiodide is I.NN/C(N)=N/CCc1ccccc1.
What is the InChIKey of 1-amino-2-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is JLVBAFYTLPAWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4.HI/c10-9(13-11)12-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,11H2,(H3,10,12,13);1H.
What are the key properties of 1-amino-2-(2-phenylethyl)guanidine;hydroiodide?
1-amino-2-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 306.15 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 158954374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).