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

C13H23IN4O — CID 111023855

IUPAC2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/CCCN(C)C.I
InChIInChI=1S/C13H22N4O.HI/c1-17(2)10-6-9-15-13(14)16-11-7-4-5-8-12(11)18-3;/h4-5,7-8H,6,9-10H2,1-3H3,(H3,14,15,16);1H
InChIKeyFRUBZACOXGCGOQ-UHFFFAOYSA-N
MW378.26 g/mol
LogP1.99
Rot. Bonds6

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

2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide (PubChem CID 111023855) has the molecular formula C13H23IN4O and a molecular weight of 378.26 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
PubChem CID111023855
Molecular FormulaC13H23IN4O
Molecular Weight378.26 g/mol
Exact Mass378.09
IUPAC Name2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/CCCN(C)C.I
InChIInChI=1S/C13H22N4O.HI/c1-17(2)10-6-9-15-13(14)16-11-7-4-5-8-12(11)18-3;/h4-5,7-8H,6,9-10H2,1-3H3,(H3,14,15,16);1H
InChIKeyFRUBZACOXGCGOQ-UHFFFAOYSA-N
XLogP1.99
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 51.99
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-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111066538
2-[3-[di(propan-2-yl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111821758
2-[3-[benzyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111034994
1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine
CID 111023903
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
2-[3-(4-hydroxyphenyl)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816087
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111034020
1-(2-methoxyphenyl)-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111063389
1-(2-methoxyphenyl)-2-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111033043
2-[2-(benzenesulfinyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111809871
1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
2-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036195

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide (CID 111023855) is 2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide is COc1ccccc1N/C(N)=N/CCCN(C)C.I.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The InChIKey is FRUBZACOXGCGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.HI/c1-17(2)10-6-9-15-13(14)16-11-7-4-5-8-12(11)18-3;/h4-5,7-8H,6,9-10H2,1-3H3,(H3,14,15,16);1H.
What are the key properties of 2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide has a molecular weight of 378.26 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111023855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).