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

C17H28IN3O — CID 111685305

IUPAC1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
SMILESCc1cccc(OC(C)C/N=C(\N)NC2CCCCC2)c1.I
InChIInChI=1S/C17H27N3O.HI/c1-13-7-6-10-16(11-13)21-14(2)12-19-17(18)20-15-8-4-3-5-9-15;/h6-7,10-11,14-15H,3-5,8-9,12H2,1-2H3,(H3,18,19,20);1H
InChIKeyUZECYQYCGGTVPS-UHFFFAOYSA-N
MW417.34 g/mol
LogP3.62
Rot. Bonds5

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

1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide (PubChem CID 111685305) has the molecular formula C17H28IN3O and a molecular weight of 417.34 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
PubChem CID111685305
Molecular FormulaC17H28IN3O
Molecular Weight417.34 g/mol
Exact Mass417.13
IUPAC Name1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
SMILESCc1cccc(OC(C)C/N=C(\N)NC2CCCCC2)c1.I
InChIInChI=1S/C17H27N3O.HI/c1-13-7-6-10-16(11-13)21-14(2)12-19-17(18)20-15-8-4-3-5-9-15;/h6-7,10-11,14-15H,3-5,8-9,12H2,1-2H3,(H3,18,19,20);1H
InChIKeyUZECYQYCGGTVPS-UHFFFAOYSA-N
XLogP3.62
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 53.62
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-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111679097
ethyl 4-[[N'-[2-(3-methylphenoxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111820702
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 111820683
2-[2-(3-methylphenoxy)propyl]-1-phenylguanidine;hydroiodide
CID 111465350
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(3-methylphenoxy)propyl]guanidine
CID 111820684
1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 62369394
N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111820723
N-cyclopentyl-3-[[N-ethyl-N'-[2-(3-methylphenoxy)propyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111685953
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine
CID 111820734
1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111074110

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide (CID 111685305) is 1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide is Cc1cccc(OC(C)C/N=C(\N)NC2CCCCC2)c1.I.
What is the InChIKey of 1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide?
The InChIKey is UZECYQYCGGTVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.HI/c1-13-7-6-10-16(11-13)21-14(2)12-19-17(18)20-15-8-4-3-5-9-15;/h6-7,10-11,14-15H,3-5,8-9,12H2,1-2H3,(H3,18,19,20);1H.
What are the key properties of 1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide?
1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide has a molecular weight of 417.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111685305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).