1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide

C18H25IN4 — CID 111244928

IUPAC1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccc(C)cc1)NCc1cccc(C)n1.I
InChIInChI=1S/C18H24N4.HI/c1-4-19-18(20-12-16-10-8-14(2)9-11-16)21-13-17-7-5-6-15(3)22-17;/h5-11H,4,12-13H2,1-3H3,(H2,19,20,21);1H
InChIKeyZRYFXSYZDTZJMN-UHFFFAOYSA-N
MW424.33 g/mol
LogP3.57
Rot. Bonds5

About 1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide

1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 111244928) has the molecular formula C18H25IN4 and a molecular weight of 424.33 g/mol. Its IUPAC name is 1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID111244928
Molecular FormulaC18H25IN4
Molecular Weight424.33 g/mol
Exact Mass424.11
IUPAC Name1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccc(C)cc1)NCc1cccc(C)n1.I
InChIInChI=1S/C18H24N4.HI/c1-4-19-18(20-12-16-10-8-14(2)9-11-16)21-13-17-7-5-6-15(3)22-17;/h5-11H,4,12-13H2,1-3H3,(H2,19,20,21);1H
InChIKeyZRYFXSYZDTZJMN-UHFFFAOYSA-N
XLogP3.57
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111232793
1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111857533
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111938287
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111175645
1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111849695
1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111849694
1-ethyl-2-[(4-methylphenyl)methyl]-3-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111245284
1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]-2-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111555660
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 109401433
1-ethyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111243953
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine;hydroiodide
CID 111590830
1-ethyl-3-hexyl-2-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111162120

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide (CID 111244928) is 1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide is CCN/C(=N\Cc1ccc(C)cc1)NCc1cccc(C)n1.I.
What is the InChIKey of 1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is ZRYFXSYZDTZJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4.HI/c1-4-19-18(20-12-16-10-8-14(2)9-11-16)21-13-17-7-5-6-15(3)22-17;/h5-11H,4,12-13H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide?
1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 424.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111244928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).