2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine

C19H31N3O2 — CID 111808524

IUPAC2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine
SMILESCOc1cccc(N/C(N)=N/CCCCCOC2CCCCC2)c1
InChIInChI=1S/C19H31N3O2/c1-23-18-12-8-9-16(15-18)22-19(20)21-13-6-3-7-14-24-17-10-4-2-5-11-17/h8-9,12,15,17H,2-7,10-11,13-14H2,1H3,(H3,20,21,22)
InChIKeyVEGOUJJNBKQFQT-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.94
Rot. Bonds9

About 2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine

2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine (PubChem CID 111808524) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine
PubChem CID111808524
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine
SMILESCOc1cccc(N/C(N)=N/CCCCCOC2CCCCC2)c1
InChIInChI=1S/C19H31N3O2/c1-23-18-12-8-9-16(15-18)22-19(20)21-13-6-3-7-14-24-17-10-4-2-5-11-17/h8-9,12,15,17H,2-7,10-11,13-14H2,1H3,(H3,20,21,22)
InChIKeyVEGOUJJNBKQFQT-UHFFFAOYSA-N
XLogP3.94
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.94
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'}

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Related Compounds

2-(5-cyclohexyloxypentyl)-1-(3,4-dimethylphenyl)guanidine
CID 111808468
2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine
CID 111090001
1-(3-methoxyphenyl)-2-pentylguanidine;hydroiodide
CID 111022589
2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111808490
2-(2-cycloheptyloxyethyl)-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111812536
2-(2-cycloheptyloxyethyl)-1-(3,4-dimethoxyphenyl)guanidine
CID 111812561
1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea
CID 92541834
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034741
1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine
CID 111975479
N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752271
2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine
CID 111089975
2-(4,4-dimethylpentyl)-1-(3-methoxyphenyl)guanidine
CID 111818232

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine?
The IUPAC name of 2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine (CID 111808524) is 2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine.
What is the SMILES notation for 2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine?
The canonical SMILES for 2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine is COc1cccc(N/C(N)=N/CCCCCOC2CCCCC2)c1.
What is the InChIKey of 2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine?
The InChIKey is VEGOUJJNBKQFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-23-18-12-8-9-16(15-18)22-19(20)21-13-6-3-7-14-24-17-10-4-2-5-11-17/h8-9,12,15,17H,2-7,10-11,13-14H2,1H3,(H3,20,21,22).
What are the key properties of 2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine?
2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine has a molecular weight of 333.48 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine is sourced from PubChem (CID 111808524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).