1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide

C19H34IN3O — CID 111621799

IUPAC1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccc(C)cc1)NCCCCCOC.I
InChIInChI=1S/C19H33N3O.HI/c1-5-20-19(21-13-7-6-8-14-23-4)22-15-17(3)18-11-9-16(2)10-12-18;/h9-12,17H,5-8,13-15H2,1-4H3,(H2,20,21,22);1H
InChIKeyFIFMNZYTMMSZEF-UHFFFAOYSA-N
MW447.41 g/mol
LogP4.09
Rot. Bonds10

About 1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide

1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide (PubChem CID 111621799) has the molecular formula C19H34IN3O and a molecular weight of 447.41 g/mol. Its IUPAC name is 1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
PubChem CID111621799
Molecular FormulaC19H34IN3O
Molecular Weight447.41 g/mol
Exact Mass447.17
IUPAC Name1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccc(C)cc1)NCCCCCOC.I
InChIInChI=1S/C19H33N3O.HI/c1-5-20-19(21-13-7-6-8-14-23-4)22-15-17(3)18-11-9-16(2)10-12-18;/h9-12,17H,5-8,13-15H2,1-4H3,(H2,20,21,22);1H
InChIKeyFIFMNZYTMMSZEF-UHFFFAOYSA-N
XLogP4.09
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 54.09
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'}

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Related Compounds

1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111622407
1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111703279
1-ethyl-3-(5-methoxypentyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111245139
1-ethyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111622667
2-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-ethyl-3-(5-methoxypentyl)guanidine
CID 109492952
1-ethyl-3-(5-methoxypentyl)-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine;hydroiodide
CID 111590652
1-ethyl-3-(5-methoxypentyl)-2-[2-(2-methylphenoxy)propyl]guanidine
CID 111686336
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine
CID 111652056
2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-(5-methoxypentyl)guanidine;hydroiodide
CID 109492306
1-ethyl-2-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111986891
1-(3-methoxypropyl)-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine
CID 111622456
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111406530

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide (CID 111621799) is 1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide is CCN/C(=N\CC(C)c1ccc(C)cc1)NCCCCCOC.I.
What is the InChIKey of 1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
The InChIKey is FIFMNZYTMMSZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O.HI/c1-5-20-19(21-13-7-6-8-14-23-4)22-15-17(3)18-11-9-16(2)10-12-18;/h9-12,17H,5-8,13-15H2,1-4H3,(H2,20,21,22);1H.
What are the key properties of 1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide has a molecular weight of 447.41 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111621799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).