2-amino-1-benzyl-1-phenylguanidine;hydroiodide

C14H17IN4 — CID 54598495

IUPAC2-amino-1-benzyl-1-phenylguanidine;hydroiodide
SMILESI.N/N=C(\N)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H16N4.HI/c15-14(17-16)18(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1-10H,11,16H2,(H2,15,17);1H
InChIKeyLKLKIJPWVACSIO-UHFFFAOYSA-N
MW368.22 g/mol
LogP2.50
Rot. Bonds3

About 2-amino-1-benzyl-1-phenylguanidine;hydroiodide

2-amino-1-benzyl-1-phenylguanidine;hydroiodide (PubChem CID 54598495) has the molecular formula C14H17IN4 and a molecular weight of 368.22 g/mol. Its IUPAC name is 2-amino-1-benzyl-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-amino-1-benzyl-1-phenylguanidine;hydroiodide
PubChem CID54598495
Molecular FormulaC14H17IN4
Molecular Weight368.22 g/mol
Exact Mass368.05
IUPAC Name2-amino-1-benzyl-1-phenylguanidine;hydroiodide
SMILESI.N/N=C(\N)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H16N4.HI/c15-14(17-16)18(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1-10H,11,16H2,(H2,15,17);1H
InChIKeyLKLKIJPWVACSIO-UHFFFAOYSA-N
XLogP2.50
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 52.50
H-Bond Donors ≤ 52
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

2-amino-1-(hydroxymethyl)-1-phenylguanidine
CID 141002742
1-benzyl-1-phenylguanidine
CID 9460
N,N-dibenzylaniline
CID 139071697
1-(4-aminophenyl)-1-benzylurea
CID 154248103
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
(4-aminophenyl)-benzylcarbamic acid
CID 69046621
1-benzyl-1-phenyl-3-(4-sulfamoylphenyl)thiourea
CID 19678434
2-(2-aminophenyl)-N-benzyl-N-phenylacetamide
CID 28712694
3-amino-N-benzyl-N-phenylbutanamide
CID 61260730
N-benzyl-N-phenylhydroxylamine
CID 10241871
(E)-4-(N-benzylanilino)-4-oxobut-2-enoic acid
CID 27407094
3-[(N-carbamoylanilino)methyl]benzoic acid
CID 67799196

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-benzyl-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-amino-1-benzyl-1-phenylguanidine;hydroiodide (CID 54598495) is 2-amino-1-benzyl-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-amino-1-benzyl-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-amino-1-benzyl-1-phenylguanidine;hydroiodide is I.N/N=C(\N)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-1-benzyl-1-phenylguanidine;hydroiodide?
The InChIKey is LKLKIJPWVACSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4.HI/c15-14(17-16)18(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1-10H,11,16H2,(H2,15,17);1H.
What are the key properties of 2-amino-1-benzyl-1-phenylguanidine;hydroiodide?
2-amino-1-benzyl-1-phenylguanidine;hydroiodide has a molecular weight of 368.22 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-benzyl-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 54598495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).