2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide

C15H27IN4O2 — CID 111066538

IUPAC2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
SMILESCOCCN(C)CCC/N=C(\N)Nc1ccccc1OC.I
InChIInChI=1S/C15H26N4O2.HI/c1-19(11-12-20-2)10-6-9-17-15(16)18-13-7-4-5-8-14(13)21-3;/h4-5,7-8H,6,9-12H2,1-3H3,(H3,16,17,18);1H
InChIKeyRDIZEIVURXIMQJ-UHFFFAOYSA-N
MW422.31 g/mol
LogP2.01
Rot. Bonds9

About 2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide

2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide (PubChem CID 111066538) has the molecular formula C15H27IN4O2 and a molecular weight of 422.31 g/mol. Its IUPAC name is 2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
PubChem CID111066538
Molecular FormulaC15H27IN4O2
Molecular Weight422.31 g/mol
Exact Mass422.12
IUPAC Name2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
SMILESCOCCN(C)CCC/N=C(\N)Nc1ccccc1OC.I
InChIInChI=1S/C15H26N4O2.HI/c1-19(11-12-20-2)10-6-9-17-15(16)18-13-7-4-5-8-14(13)21-3;/h4-5,7-8H,6,9-12H2,1-3H3,(H3,16,17,18);1H
InChIKeyRDIZEIVURXIMQJ-UHFFFAOYSA-N
XLogP2.01
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855
2-[3-[benzyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111034994
2-[3-[di(propan-2-yl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111821758
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine
CID 111099208
2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111066570
1-(3,4-dimethylphenyl)-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine;hydroiodide
CID 111066560
2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111066540
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
1-(2,5-diethoxyphenyl)-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111066603
1-(2-methoxyphenyl)-2-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111033043
2-[3-(4-hydroxyphenyl)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816087
2-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036195

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide (CID 111066538) is 2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide is COCCN(C)CCC/N=C(\N)Nc1ccccc1OC.I.
What is the InChIKey of 2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The InChIKey is RDIZEIVURXIMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2.HI/c1-19(11-12-20-2)10-6-9-17-15(16)18-13-7-4-5-8-14(13)21-3;/h4-5,7-8H,6,9-12H2,1-3H3,(H3,16,17,18);1H.
What are the key properties of 2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide has a molecular weight of 422.31 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111066538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).