1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine

C16H25N3O2 — CID 110991331

IUPAC1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCOc1ccc(OC)cc1)NC1CCCC1
InChIInChI=1S/C16H25N3O2/c1-17-16(19-13-5-3-4-6-13)18-11-12-21-15-9-7-14(20-2)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H2,17,18,19)
InChIKeyVBTKKUNXKPQDQC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.18
Rot. Bonds6

About 1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine

1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine (PubChem CID 110991331) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
PubChem CID110991331
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCOc1ccc(OC)cc1)NC1CCCC1
InChIInChI=1S/C16H25N3O2/c1-17-16(19-13-5-3-4-6-13)18-11-12-21-15-9-7-14(20-2)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H2,17,18,19)
InChIKeyVBTKKUNXKPQDQC-UHFFFAOYSA-N
XLogP2.18
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.18
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

1-cyclopropyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110933580
1-[2-(4-bromophenoxy)ethyl]-3-cyclopentyl-2-methylguanidine;hydroiodide
CID 110990870
1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 110991193
1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111918550
1-[3-(4-methoxyphenoxy)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318730
1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 75532438
1-cyclopentyl-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110991210
ethyl 4-[[N-[3-(4-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111329603
1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110990204
1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine
CID 110990673
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713498
1-(3-ethoxypropyl)-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111222989

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine?
The IUPAC name of 1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine (CID 110991331) is 1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine is C/N=C(\NCCOc1ccc(OC)cc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine?
The InChIKey is VBTKKUNXKPQDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-17-16(19-13-5-3-4-6-13)18-11-12-21-15-9-7-14(20-2)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine?
1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine has a molecular weight of 291.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine is sourced from PubChem (CID 110991331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).