1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide

C17H30IN3O — CID 111894276

IUPAC1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide
SMILESCCOCCN/C(=N\C)NCC(C)(C)c1ccccc1C.I
InChIInChI=1S/C17H29N3O.HI/c1-6-21-12-11-19-16(18-5)20-13-17(3,4)15-10-8-7-9-14(15)2;/h7-10H,6,11-13H2,1-5H3,(H2,18,19,20);1H
InChIKeyUHYKHIHFDXCXHF-UHFFFAOYSA-N
MW419.35 g/mol
LogP3.09
Rot. Bonds7

About 1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide

1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide (PubChem CID 111894276) has the molecular formula C17H30IN3O and a molecular weight of 419.35 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide
PubChem CID111894276
Molecular FormulaC17H30IN3O
Molecular Weight419.35 g/mol
Exact Mass419.14
IUPAC Name1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide
SMILESCCOCCN/C(=N\C)NCC(C)(C)c1ccccc1C.I
InChIInChI=1S/C17H29N3O.HI/c1-6-21-12-11-19-16(18-5)20-13-17(3,4)15-10-8-7-9-14(15)2;/h7-10H,6,11-13H2,1-5H3,(H2,18,19,20);1H
InChIKeyUHYKHIHFDXCXHF-UHFFFAOYSA-N
XLogP3.09
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]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-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine
CID 110940214
1-(2-ethoxyethyl)-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 111582132
2-methyl-1-[2-methyl-2-(2-methylphenyl)propyl]-3-(4-methylsulfanylbutyl)guanidine
CID 111627768
1-(3-ethoxypropyl)-2-methyl-3-[3-(2-methylphenoxy)propyl]guanidine;hydroiodide
CID 111782631
1-(2-ethoxyethyl)-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198953
1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111222280
2-methyl-1-[2-methyl-2-(2-methylphenyl)propyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110968678
2-methyl-1-[2-methyl-2-(2-methylphenyl)propyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111259451
1-[2-(2-chlorophenyl)-2-methylpropyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111406462
1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111223376
1-(2-ethoxyethyl)-2-methyl-3-(3-phenylbutyl)guanidine;hydroiodide
CID 111894278
1-(2-ethoxyethyl)-2-methyl-3-(5-phenylpentyl)guanidine;hydroiodide
CID 111895474

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide (CID 111894276) is 1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide is CCOCCN/C(=N\C)NCC(C)(C)c1ccccc1C.I.
What is the InChIKey of 1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide?
The InChIKey is UHYKHIHFDXCXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O.HI/c1-6-21-12-11-19-16(18-5)20-13-17(3,4)15-10-8-7-9-14(15)2;/h7-10H,6,11-13H2,1-5H3,(H2,18,19,20);1H.
What are the key properties of 1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide?
1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide has a molecular weight of 419.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111894276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).