1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide

C14H22IN3O — CID 111822800

IUPAC1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1/N=C(\N)Nc1ccccc1OC.I
InChIInChI=1S/C14H21N3O.HI/c1-3-6-10-9-12(10)17-14(15)16-11-7-4-5-8-13(11)18-2;/h4-5,7-8,10,12H,3,6,9H2,1-2H3,(H3,15,16,17);1H
InChIKeyXPBONBRJVQTIQT-UHFFFAOYSA-N
MW375.25 g/mol
LogP3.23
Rot. Bonds5

About 1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide

1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide (PubChem CID 111822800) has the molecular formula C14H22IN3O and a molecular weight of 375.25 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide
PubChem CID111822800
Molecular FormulaC14H22IN3O
Molecular Weight375.25 g/mol
Exact Mass375.08
IUPAC Name1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1/N=C(\N)Nc1ccccc1OC.I
InChIInChI=1S/C14H21N3O.HI/c1-3-6-10-9-12(10)17-14(15)16-11-7-4-5-8-13(11)18-2;/h4-5,7-8,10,12H,3,6,9H2,1-2H3,(H3,15,16,17);1H
InChIKeyXPBONBRJVQTIQT-UHFFFAOYSA-N
XLogP3.23
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111822782
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111022489
2-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111815669
1-(2-methoxyphenyl)-2-prop-2-ynylguanidine
CID 111031544
2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816431
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855
2-(2-benzylcyclopropyl)-1-(3-chloro-4-methoxyphenyl)guanidine
CID 119148305
1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 75419855
1-(2-methoxyphenyl)-2-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111033043
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
1-(2-methoxyphenyl)-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111063389

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide (CID 111822800) is 1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide is CCCC1CC1/N=C(\N)Nc1ccccc1OC.I.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide?
The InChIKey is XPBONBRJVQTIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.HI/c1-3-6-10-9-12(10)17-14(15)16-11-7-4-5-8-13(11)18-2;/h4-5,7-8,10,12H,3,6,9H2,1-2H3,(H3,15,16,17);1H.
What are the key properties of 1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide?
1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide has a molecular weight of 375.25 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 111822800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).