1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide

C18H30IN3O2 — CID 111099385

IUPAC1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
SMILESCOc1ccc(COCCC/N=C(\N)NC2CCCCC2)cc1.I
InChIInChI=1S/C18H29N3O2.HI/c1-22-17-10-8-15(9-11-17)14-23-13-5-12-20-18(19)21-16-6-3-2-4-7-16;/h8-11,16H,2-7,12-14H2,1H3,(H3,19,20,21);1H
InChIKeyMLUAMIVPCAWTDF-UHFFFAOYSA-N
MW447.36 g/mol
LogP3.46
Rot. Bonds8

About 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide

1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide (PubChem CID 111099385) has the molecular formula C18H30IN3O2 and a molecular weight of 447.36 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
PubChem CID111099385
Molecular FormulaC18H30IN3O2
Molecular Weight447.36 g/mol
Exact Mass447.14
IUPAC Name1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
SMILESCOc1ccc(COCCC/N=C(\N)NC2CCCCC2)cc1.I
InChIInChI=1S/C18H29N3O2.HI/c1-22-17-10-8-15(9-11-17)14-23-13-5-12-20-18(19)21-16-6-3-2-4-7-16;/h8-11,16H,2-7,12-14H2,1H3,(H3,19,20,21);1H
InChIKeyMLUAMIVPCAWTDF-UHFFFAOYSA-N
XLogP3.46
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 53.46
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

1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111099386
1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111093612
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 75418892
1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 110935407
1-cyclopropyl-3-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 110989094
1-butyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 111099383
1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088217
2-(3-butoxypropyl)-1-cyclopentylguanidine
CID 113229344
1-(3,4-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 111099417
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111099428

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide (CID 111099385) is 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide is COc1ccc(COCCC/N=C(\N)NC2CCCCC2)cc1.I.
What is the InChIKey of 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide?
The InChIKey is MLUAMIVPCAWTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.HI/c1-22-17-10-8-15(9-11-17)14-23-13-5-12-20-18(19)21-16-6-3-2-4-7-16;/h8-11,16H,2-7,12-14H2,1H3,(H3,19,20,21);1H.
What are the key properties of 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide?
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide has a molecular weight of 447.36 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide is sourced from PubChem (CID 111099385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).