2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide

C18H24IN3 — CID 110948673

IUPAC2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1)NC(C)c1ccccc1.I
InChIInChI=1S/C18H23N3.HI/c1-3-19-18(20-14-16-10-6-4-7-11-16)21-15(2)17-12-8-5-9-13-17;/h4-13,15H,3,14H2,1-2H3,(H2,19,20,21);1H
InChIKeyWCNVBISAQQUJQQ-UHFFFAOYSA-N
MW409.32 g/mol
LogP4.12
Rot. Bonds5

About 2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide

2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide (PubChem CID 110948673) has the molecular formula C18H24IN3 and a molecular weight of 409.32 g/mol. Its IUPAC name is 2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
PubChem CID110948673
Molecular FormulaC18H24IN3
Molecular Weight409.32 g/mol
Exact Mass409.10
IUPAC Name2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1)NC(C)c1ccccc1.I
InChIInChI=1S/C18H23N3.HI/c1-3-19-18(20-14-16-10-6-4-7-11-16)21-15(2)17-12-8-5-9-13-17;/h4-13,15H,3,14H2,1-2H3,(H2,19,20,21);1H
InChIKeyWCNVBISAQQUJQQ-UHFFFAOYSA-N
XLogP4.12
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 110950069
2-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948077
1-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948405
1-ethyl-3-(1-phenylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 110949069
2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950097
2-[[3-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948901
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine
CID 110949054
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950275
N-ethyl-2-[3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 110950147
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
1-ethyl-3-(1-phenylethyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 110950311
1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949449

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide (CID 110948673) is 2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide is CCN/C(=N\Cc1ccccc1)NC(C)c1ccccc1.I.
What is the InChIKey of 2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide?
The InChIKey is WCNVBISAQQUJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3.HI/c1-3-19-18(20-14-16-10-6-4-7-11-16)21-15(2)17-12-8-5-9-13-17;/h4-13,15H,3,14H2,1-2H3,(H2,19,20,21);1H.
What are the key properties of 2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide?
2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide has a molecular weight of 409.32 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110948673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).