2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine

C17H27N3O — CID 111090001

IUPAC2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/CCCOC2CCCC2)c1
InChIInChI=1S/C17H27N3O/c1-2-14-7-5-8-15(13-14)20-17(18)19-11-6-12-21-16-9-3-4-10-16/h5,7-8,13,16H,2-4,6,9-12H2,1H3,(H3,18,19,20)
InChIKeyHQXIRJONIKGXLH-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.32
Rot. Bonds7

About 2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine

2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine (PubChem CID 111090001) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine
PubChem CID111090001
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/CCCOC2CCCC2)c1
InChIInChI=1S/C17H27N3O/c1-2-14-7-5-8-15(13-14)20-17(18)19-11-6-12-21-16-9-3-4-10-16/h5,7-8,13,16H,2-4,6,9-12H2,1H3,(H3,18,19,20)
InChIKeyHQXIRJONIKGXLH-UHFFFAOYSA-N
XLogP3.32
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-cycloheptyloxyethyl)-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111812536
1-(3-ethylphenyl)-2-(3-methoxypropyl)guanidine
CID 111023612
2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine
CID 111808524
2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine
CID 111089975
1-(3-ethylphenyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018549
2-(5-cyclohexyloxypentyl)-1-(3,4-dimethylphenyl)guanidine
CID 111808468
2-(3-cyclohexyloxypropyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111035501
1-(3-ethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine
CID 110029222
1-(3-ethylphenyl)-2-[3-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111816945
2-(3-cyclohexyloxypropyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine
CID 111035522
2-(3-cyclopentyloxypropyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine;hydroiodide
CID 111090032
2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide
CID 111428491

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine?
The IUPAC name of 2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine (CID 111090001) is 2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine.
What is the SMILES notation for 2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine?
The canonical SMILES for 2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine is CCc1cccc(N/C(N)=N/CCCOC2CCCC2)c1.
What is the InChIKey of 2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine?
The InChIKey is HQXIRJONIKGXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-14-7-5-8-15(13-14)20-17(18)19-11-6-12-21-16-9-3-4-10-16/h5,7-8,13,16H,2-4,6,9-12H2,1H3,(H3,18,19,20).
What are the key properties of 2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine?
2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine has a molecular weight of 289.42 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine is sourced from PubChem (CID 111090001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).