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

C19H32IN3O2 — CID 111575006

IUPAC1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide
SMILESCCOc1cc(CCC/N=C(\N)NC2CCCCC2)ccc1OC.I
InChIInChI=1S/C19H31N3O2.HI/c1-3-24-18-14-15(11-12-17(18)23-2)8-7-13-21-19(20)22-16-9-5-4-6-10-16;/h11-12,14,16H,3-10,13H2,1-2H3,(H3,20,21,22);1H
InChIKeyCHTQCDWXKFXCNI-UHFFFAOYSA-N
MW461.39 g/mol
LogP3.88
Rot. Bonds8

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

1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide (PubChem CID 111575006) has the molecular formula C19H32IN3O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide
PubChem CID111575006
Molecular FormulaC19H32IN3O2
Molecular Weight461.39 g/mol
Exact Mass461.15
IUPAC Name1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide
SMILESCCOc1cc(CCC/N=C(\N)NC2CCCCC2)ccc1OC.I
InChIInChI=1S/C19H31N3O2.HI/c1-3-24-18-14-15(11-12-17(18)23-2)8-7-13-21-19(20)22-16-9-5-4-6-10-16;/h11-12,14,16H,3-10,13H2,1-2H3,(H3,20,21,22);1H
InChIKeyCHTQCDWXKFXCNI-UHFFFAOYSA-N
XLogP3.88
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 53.88
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

2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine
CID 111812347
1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine
CID 111804422
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-3-ethyl-1,1-dimethylguanidine;hydroiodide
CID 111574964
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-3-ethyl-1,1-dimethylguanidine
CID 111574965
2-[(3-bromo-4-methoxyphenyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111095617
3-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclohexylpropanamide
CID 111075449
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111812324
N-cyclohexyl-2-[[N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111574679
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 111099385
N'-[3-(3-ethoxy-4-methoxyphenyl)propyl]-N-ethylpyrrolidine-1-carboximidamide
CID 111826088
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide (CID 111575006) is 1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide is CCOc1cc(CCC/N=C(\N)NC2CCCCC2)ccc1OC.I.
What is the InChIKey of 1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide?
The InChIKey is CHTQCDWXKFXCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.HI/c1-3-24-18-14-15(11-12-17(18)23-2)8-7-13-21-19(20)22-16-9-5-4-6-10-16;/h11-12,14,16H,3-10,13H2,1-2H3,(H3,20,21,22);1H.
What are the key properties of 1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide?
1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide has a molecular weight of 461.39 g/mol, XLogP of 3.88, 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-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111575006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).