2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide

C15H27IN4O — CID 111025337

IUPAC2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
SMILESCCN(CC)CCC/N=C(\N)Nc1ccc(OC)cc1.I
InChIInChI=1S/C15H26N4O.HI/c1-4-19(5-2)12-6-11-17-15(16)18-13-7-9-14(20-3)10-8-13;/h7-10H,4-6,11-12H2,1-3H3,(H3,16,17,18);1H
InChIKeyMGAQCDWACPAIFI-UHFFFAOYSA-N
MW406.31 g/mol
LogP2.77
Rot. Bonds8

About 2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide

2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide (PubChem CID 111025337) has the molecular formula C15H27IN4O and a molecular weight of 406.31 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
PubChem CID111025337
Molecular FormulaC15H27IN4O
Molecular Weight406.31 g/mol
Exact Mass406.12
IUPAC Name2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
SMILESCCN(CC)CCC/N=C(\N)Nc1ccc(OC)cc1.I
InChIInChI=1S/C15H26N4O.HI/c1-4-19(5-2)12-6-11-17-15(16)18-13-7-9-14(20-3)10-8-13;/h7-10H,4-6,11-12H2,1-3H3,(H3,16,17,18);1H
InChIKeyMGAQCDWACPAIFI-UHFFFAOYSA-N
XLogP2.77
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 52.77
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

2-[3-(ethylsulfonylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111093452
2-[3-[benzyl(methyl)amino]propyl]-1-(4-methoxyphenyl)guanidine
CID 111034997
2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111052985
1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111096559
2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111092837
2-(3-anilinopropyl)-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111088121
2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111053050
1-(4-methoxyphenyl)-2-(2-methylsulfanylethyl)guanidine
CID 111030340
1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine
CID 111077445
2-(2-ethylsulfonylethyl)-1-(4-methoxyphenyl)guanidine
CID 111100364
2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine
CID 111062739
2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111078698

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide (CID 111025337) is 2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide is CCN(CC)CCC/N=C(\N)Nc1ccc(OC)cc1.I.
What is the InChIKey of 2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide?
The InChIKey is MGAQCDWACPAIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.HI/c1-4-19(5-2)12-6-11-17-15(16)18-13-7-9-14(20-3)10-8-13;/h7-10H,4-6,11-12H2,1-3H3,(H3,16,17,18);1H.
What are the key properties of 2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide?
2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide has a molecular weight of 406.31 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111025337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).