1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C21H31IN4 — CID 111192995

IUPAC1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)c1ccc(C)cc1)NCCc1ccccn1.I
InChIInChI=1S/C21H30N4.HI/c1-5-22-20(24-15-13-19-8-6-7-14-23-19)25-16-21(3,4)18-11-9-17(2)10-12-18;/h6-12,14H,5,13,15-16H2,1-4H3,(H2,22,24,25);1H
InChIKeyCZFXPHVTNSDSCC-UHFFFAOYSA-N
MW466.41 g/mol
LogP4.08
Rot. Bonds7

About 1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide

1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111192995) has the molecular formula C21H31IN4 and a molecular weight of 466.41 g/mol. Its IUPAC name is 1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111192995
Molecular FormulaC21H31IN4
Molecular Weight466.41 g/mol
Exact Mass466.16
IUPAC Name1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)c1ccc(C)cc1)NCCc1ccccn1.I
InChIInChI=1S/C21H30N4.HI/c1-5-22-20(24-15-13-19-8-6-7-14-23-19)25-16-21(3,4)18-11-9-17(2)10-12-18;/h6-12,14H,5,13,15-16H2,1-4H3,(H2,22,24,25);1H
InChIKeyCZFXPHVTNSDSCC-UHFFFAOYSA-N
XLogP4.08
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.41
LogP ≤ 54.08
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-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)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-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192996
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111621510
1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111782044
1-ethyl-2-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191741
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111101364
2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111073574
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111192434
1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111965544
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111101365
1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111194704
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191666

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111192995) is 1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CCN/C(=N\CC(C)(C)c1ccc(C)cc1)NCCc1ccccn1.I.
What is the InChIKey of 1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is CZFXPHVTNSDSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4.HI/c1-5-22-20(24-15-13-19-8-6-7-14-23-19)25-16-21(3,4)18-11-9-17(2)10-12-18;/h6-12,14H,5,13,15-16H2,1-4H3,(H2,22,24,25);1H.
What are the key properties of 1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 466.41 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111192995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).