2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide

C18H28IN3O2 — CID 111820031

IUPAC2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
SMILESCOc1ccc(OC)c(N/C(N)=N/C2CC2C2CCCCC2)c1.I
InChIInChI=1S/C18H27N3O2.HI/c1-22-13-8-9-17(23-2)16(10-13)21-18(19)20-15-11-14(15)12-6-4-3-5-7-12;/h8-10,12,14-15H,3-7,11H2,1-2H3,(H3,19,20,21);1H
InChIKeyFUGJKWKXUFJFKB-UHFFFAOYSA-N
MW445.35 g/mol
LogP4.02
Rot. Bonds5

About 2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide

2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide (PubChem CID 111820031) has the molecular formula C18H28IN3O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is 2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
PubChem CID111820031
Molecular FormulaC18H28IN3O2
Molecular Weight445.35 g/mol
Exact Mass445.12
IUPAC Name2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
SMILESCOc1ccc(OC)c(N/C(N)=N/C2CC2C2CCCCC2)c1.I
InChIInChI=1S/C18H27N3O2.HI/c1-22-13-8-9-17(23-2)16(10-13)21-18(19)20-15-11-14(15)12-6-4-3-5-7-12;/h8-10,12,14-15H,3-7,11H2,1-2H3,(H3,19,20,21);1H
InChIKeyFUGJKWKXUFJFKB-UHFFFAOYSA-N
XLogP4.02
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,5-dimethoxyphenyl)-2-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine
CID 111818806
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111057300
1-(2,5-dimethoxyphenyl)-2-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)guanidine
CID 119148269
2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 120671424
2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 119148151
1-(2,5-dimethoxyphenyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111022958
2-[(1R,2S)-2-cyclobutylcyclopropyl]-1-(2,5-difluorophenyl)guanidine;hydroiodide
CID 122126084
[2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2391445
2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139753
1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 111076580
1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine
CID 111823259
1-(2,5-dimethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]guanidine
CID 122097343

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide (CID 111820031) is 2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide is COc1ccc(OC)c(N/C(N)=N/C2CC2C2CCCCC2)c1.I.
What is the InChIKey of 2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide?
The InChIKey is FUGJKWKXUFJFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.HI/c1-22-13-8-9-17(23-2)16(10-13)21-18(19)20-15-11-14(15)12-6-4-3-5-7-12;/h8-10,12,14-15H,3-7,11H2,1-2H3,(H3,19,20,21);1H.
What are the key properties of 2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide?
2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide has a molecular weight of 445.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111820031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).