2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine

C17H27N3O — CID 111089975

IUPAC2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine
SMILESCc1cc(C)cc(N/C(N)=N/CCCOC2CCCC2)c1
InChIInChI=1S/C17H27N3O/c1-13-10-14(2)12-15(11-13)20-17(18)19-8-5-9-21-16-6-3-4-7-16/h10-12,16H,3-9H2,1-2H3,(H3,18,19,20)
InChIKeyHQMSDHSEOGGBIT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.38
Rot. Bonds6

About 2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine

2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine (PubChem CID 111089975) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine.

Molecular Properties

Compound Name2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine
PubChem CID111089975
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine
SMILESCc1cc(C)cc(N/C(N)=N/CCCOC2CCCC2)c1
InChIInChI=1S/C17H27N3O/c1-13-10-14(2)12-15(11-13)20-17(18)19-8-5-9-21-16-6-3-4-7-16/h10-12,16H,3-9H2,1-2H3,(H3,18,19,20)
InChIKeyHQMSDHSEOGGBIT-UHFFFAOYSA-N
XLogP3.38
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.38
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-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine
CID 111090001
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
2-(3-cyclohexyloxypropyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine
CID 111035522
2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine
CID 111808524
2-(3-cyclopentyloxypropyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine;hydroiodide
CID 111090032
2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111035488
2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111808490
2-(2-cycloheptyloxyethyl)-1-(3,4-dimethoxyphenyl)guanidine
CID 111812561
2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide
CID 111428491
2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine
CID 110914060
1-(3,5-dimethylphenyl)-2-(6-methylsulfanylhexyl)guanidine;hydroiodide
CID 110032052

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine?
The IUPAC name of 2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine (CID 111089975) is 2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine.
What is the SMILES notation for 2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine?
The canonical SMILES for 2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine is Cc1cc(C)cc(N/C(N)=N/CCCOC2CCCC2)c1.
What is the InChIKey of 2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine?
The InChIKey is HQMSDHSEOGGBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-10-14(2)12-15(11-13)20-17(18)19-8-5-9-21-16-6-3-4-7-16/h10-12,16H,3-9H2,1-2H3,(H3,18,19,20).
What are the key properties of 2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine?
2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine has a molecular weight of 289.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine is sourced from PubChem (CID 111089975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).