1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine

C17H27N3O — CID 110990673

IUPAC1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCOc1c(C)cccc1C)NC1CCCC1
InChIInChI=1S/C17H27N3O/c1-13-7-6-8-14(2)16(13)21-12-11-19-17(18-3)20-15-9-4-5-10-15/h6-8,15H,4-5,9-12H2,1-3H3,(H2,18,19,20)
InChIKeyFROUDARJJNDSKH-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.79
Rot. Bonds5

About 1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine

1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine (PubChem CID 110990673) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine
PubChem CID110990673
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCOc1c(C)cccc1C)NC1CCCC1
InChIInChI=1S/C17H27N3O/c1-13-7-6-8-14(2)16(13)21-12-11-19-17(18-3)20-15-9-4-5-10-15/h6-8,15H,4-5,9-12H2,1-3H3,(H2,18,19,20)
InChIKeyFROUDARJJNDSKH-UHFFFAOYSA-N
XLogP2.79
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.79
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

1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110990672
1-[2-(2,6-dimethylphenoxy)ethyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317094
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine;hydroiodide
CID 109437714
1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 110991331
1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110990204
1-cyclopropyl-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
CID 110934292
1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 75532438
1-[2-(4-bromophenoxy)ethyl]-3-cyclopentyl-2-methylguanidine;hydroiodide
CID 110990870
1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111222280
N-[2-(2,6-dimethylphenoxy)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 110934299
1-cyclopropyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110933580
1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111335956

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine?
The IUPAC name of 1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine (CID 110990673) is 1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine is C/N=C(\NCCOc1c(C)cccc1C)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine?
The InChIKey is FROUDARJJNDSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-7-6-8-14(2)16(13)21-12-11-19-17(18-3)20-15-9-4-5-10-15/h6-8,15H,4-5,9-12H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine?
1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine has a molecular weight of 289.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine is sourced from PubChem (CID 110990673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).