1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide

C18H32IN3O2 — CID 111622407

IUPAC1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccc(C)cc1)NCCOCCOC.I
InChIInChI=1S/C18H31N3O2.HI/c1-5-19-18(20-10-11-23-13-12-22-4)21-14-16(3)17-8-6-15(2)7-9-17;/h6-9,16H,5,10-14H2,1-4H3,(H2,19,20,21);1H
InChIKeyIXGSBZJCYIKCQJ-UHFFFAOYSA-N
MW449.38 g/mol
LogP2.93
Rot. Bonds10

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

1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide (PubChem CID 111622407) has the molecular formula C18H32IN3O2 and a molecular weight of 449.38 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
PubChem CID111622407
Molecular FormulaC18H32IN3O2
Molecular Weight449.38 g/mol
Exact Mass449.15
IUPAC Name1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccc(C)cc1)NCCOCCOC.I
InChIInChI=1S/C18H31N3O2.HI/c1-5-19-18(20-10-11-23-13-12-22-4)21-14-16(3)17-8-6-15(2)7-9-17;/h6-9,16H,5,10-14H2,1-4H3,(H2,19,20,21);1H
InChIKeyIXGSBZJCYIKCQJ-UHFFFAOYSA-N
XLogP2.93
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111621799
1-ethyl-2-[2-(2-methoxyethoxy)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111276791
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111679715
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111406530
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111243949
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111899698
1-ethyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111622667
N-[2-[[N-ethyl-N'-[2-(4-methylphenyl)propyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111622238
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111325999
2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111356952
1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111621510
1-ethyl-3-(2-methoxyethyl)-2-(3-methyl-2-phenylbutyl)guanidine;hydroiodide
CID 110942185

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide (CID 111622407) is 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide is CCN/C(=N\CC(C)c1ccc(C)cc1)NCCOCCOC.I.
What is the InChIKey of 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
The InChIKey is IXGSBZJCYIKCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2.HI/c1-5-19-18(20-10-11-23-13-12-22-4)21-14-16(3)17-8-6-15(2)7-9-17;/h6-9,16H,5,10-14H2,1-4H3,(H2,19,20,21);1H.
What are the key properties of 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide has a molecular weight of 449.38 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111622407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).