2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine

C21H35N3O2 — CID 111808490

IUPAC2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine
SMILESCC(C)Oc1ccc(N/C(N)=N/CCCCCOC2CCCCC2)cc1
InChIInChI=1S/C21H35N3O2/c1-17(2)26-20-13-11-18(12-14-20)24-21(22)23-15-7-4-8-16-25-19-9-5-3-6-10-19/h11-14,17,19H,3-10,15-16H2,1-2H3,(H3,22,23,24)
InChIKeyQZOKXBQJHANYFH-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.72
Rot. Bonds10

About 2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine

2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine (PubChem CID 111808490) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine.

Molecular Properties

Compound Name2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine
PubChem CID111808490
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine
SMILESCC(C)Oc1ccc(N/C(N)=N/CCCCCOC2CCCCC2)cc1
InChIInChI=1S/C21H35N3O2/c1-17(2)26-20-13-11-18(12-14-20)24-21(22)23-15-7-4-8-16-25-19-9-5-3-6-10-19/h11-14,17,19H,3-10,15-16H2,1-2H3,(H3,22,23,24)
InChIKeyQZOKXBQJHANYFH-UHFFFAOYSA-N
XLogP4.72
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.72
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-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111035488
2-[3-(2-hydroxyethoxy)propyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 110018624
2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine
CID 111808524
2-[3-(azepan-1-yl)propyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111029591
1-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111056225
2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine
CID 111089975
2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide
CID 111428491
2-[4-(4-ethylpiperazin-1-yl)butyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111060405
2-[3-(2-phenylethoxy)propyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111074342
2-(3-cyclohexyloxypropyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111035501

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine?
The IUPAC name of 2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine (CID 111808490) is 2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine.
What is the SMILES notation for 2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine?
The canonical SMILES for 2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine is CC(C)Oc1ccc(N/C(N)=N/CCCCCOC2CCCCC2)cc1.
What is the InChIKey of 2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine?
The InChIKey is QZOKXBQJHANYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-17(2)26-20-13-11-18(12-14-20)24-21(22)23-15-7-4-8-16-25-19-9-5-3-6-10-19/h11-14,17,19H,3-10,15-16H2,1-2H3,(H3,22,23,24).
What are the key properties of 2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine?
2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine has a molecular weight of 361.53 g/mol, XLogP of 4.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine is sourced from PubChem (CID 111808490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).