1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine

C15H23N3O — CID 62369394

IUPAC1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine
SMILESCc1cccc(OCC/N=C(\N)NC2CCCC2)c1
InChIInChI=1S/C15H23N3O/c1-12-5-4-8-14(11-12)19-10-9-17-15(16)18-13-6-2-3-7-13/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H3,16,17,18)
InChIKeyLBLKRDDXEVNNNE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.22
Rot. Bonds5

About 1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine

1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine (PubChem CID 62369394) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine
PubChem CID62369394
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine
SMILESCc1cccc(OCC/N=C(\N)NC2CCCC2)c1
InChIInChI=1S/C15H23N3O/c1-12-5-4-8-14(11-12)19-10-9-17-15(16)18-13-6-2-3-7-13/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H3,16,17,18)
InChIKeyLBLKRDDXEVNNNE-UHFFFAOYSA-N
XLogP2.22
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.22
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-(3-chlorophenoxy)ethyl]-1-cyclohexylguanidine
CID 111071423
1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 64869053
1-cyclopropyl-2-(2-phenoxyethyl)guanidine
CID 62361569
1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 62364211
1-cyclopropyl-2-(2-phenoxyethyl)guanidine;hydrobromide
CID 126812379
1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine
CID 111806172
1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine
CID 110917136
1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 111685305
2-[2-(4-chlorophenoxy)ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119117520
1-(3-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 111031972
N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111032037
1-cyclohexyl-2-[2-(4-methylsulfonylphenoxy)ethyl]guanidine;hydroiodide
CID 111805015

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine (CID 62369394) is 1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine is Cc1cccc(OCC/N=C(\N)NC2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine?
The InChIKey is LBLKRDDXEVNNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-5-4-8-14(11-12)19-10-9-17-15(16)18-13-6-2-3-7-13/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H3,16,17,18).
What are the key properties of 1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine?
1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine has a molecular weight of 261.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine is sourced from PubChem (CID 62369394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).