1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide

C17H28IN3O2 — CID 111679097

IUPAC1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
SMILESCOc1cccc(OC(C)C/N=C(\N)NC2CCCCC2)c1.I
InChIInChI=1S/C17H27N3O2.HI/c1-13(22-16-10-6-9-15(11-16)21-2)12-19-17(18)20-14-7-4-3-5-8-14;/h6,9-11,13-14H,3-5,7-8,12H2,1-2H3,(H3,18,19,20);1H
InChIKeyPFKPZFALOJAZPE-UHFFFAOYSA-N
MW433.33 g/mol
LogP3.32
Rot. Bonds6

About 1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide

1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide (PubChem CID 111679097) has the molecular formula C17H28IN3O2 and a molecular weight of 433.33 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
PubChem CID111679097
Molecular FormulaC17H28IN3O2
Molecular Weight433.33 g/mol
Exact Mass433.12
IUPAC Name1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
SMILESCOc1cccc(OC(C)C/N=C(\N)NC2CCCCC2)c1.I
InChIInChI=1S/C17H27N3O2.HI/c1-13(22-16-10-6-9-15(11-16)21-2)12-19-17(18)20-14-7-4-3-5-8-14;/h6,9-11,13-14H,3-5,7-8,12H2,1-2H3,(H3,18,19,20);1H
InChIKeyPFKPZFALOJAZPE-UHFFFAOYSA-N
XLogP3.32
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 53.32
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-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 111685305
ethyl 4-[[N'-[2-(3-methylphenoxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111820702
1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine
CID 111058374
N-cyclooctyl-2-(3-methoxyphenoxy)butanamide
CID 46769347
1-cyclopentyl-3-ethyl-2-[2-(4-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111787760
2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111820519
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 111820683
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111056168
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
ethyl 4-[[N'-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111030447
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(3-methylphenoxy)propyl]guanidine
CID 111820684
N-cyclopentyl-3-[[N-[2-(3-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111679982

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide (CID 111679097) is 1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide is COc1cccc(OC(C)C/N=C(\N)NC2CCCCC2)c1.I.
What is the InChIKey of 1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide?
The InChIKey is PFKPZFALOJAZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.HI/c1-13(22-16-10-6-9-15(11-16)21-2)12-19-17(18)20-14-7-4-3-5-8-14;/h6,9-11,13-14H,3-5,7-8,12H2,1-2H3,(H3,18,19,20);1H.
What are the key properties of 1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide?
1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide has a molecular weight of 433.33 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111679097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).