1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide

C16H24F2IN3 — CID 111965424

IUPAC1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCc1cc(F)ccc1F)NC1CCCC1.I
InChIInChI=1S/C16H23F2N3.HI/c1-2-19-16(21-14-5-3-4-6-14)20-10-9-12-11-13(17)7-8-15(12)18;/h7-8,11,14H,2-6,9-10H2,1H3,(H2,19,20,21);1H
InChIKeyVVOHQLNPBNNTRZ-UHFFFAOYSA-N
MW423.29 g/mol
LogP3.62
Rot. Bonds5

About 1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide

1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide (PubChem CID 111965424) has the molecular formula C16H24F2IN3 and a molecular weight of 423.29 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
PubChem CID111965424
Molecular FormulaC16H24F2IN3
Molecular Weight423.29 g/mol
Exact Mass423.10
IUPAC Name1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCc1cc(F)ccc1F)NC1CCCC1.I
InChIInChI=1S/C16H23F2N3.HI/c1-2-19-16(21-14-5-3-4-6-14)20-10-9-12-11-13(17)7-8-15(12)18;/h7-8,11,14H,2-6,9-10H2,1H3,(H2,19,20,21);1H
InChIKeyVVOHQLNPBNNTRZ-UHFFFAOYSA-N
XLogP3.62
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,5-difluorophenyl)ethyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111965690
1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111549026
2-[2-(2,5-difluorophenyl)ethyl]-1,3-diethylguanidine
CID 111573052
1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110992329
1-cyclopentyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111779634
1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine
CID 111548975
1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine
CID 111546661
1-cyclopropyl-2-[2-(3,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110988493
N-cyclohexyl-2-[[N'-[(2,5-difluorophenyl)methyl]-N-ethylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111902270
1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110989245
2-[2-(2,4-difluorophenyl)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine;hydroiodide
CID 111780940
2-[2-(5-bromo-2-fluorophenyl)ethyl]-1-ethyl-3-(3-ethylsulfinylcyclohexyl)guanidine;hydroiodide
CID 109440870

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide (CID 111965424) is 1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide is CCN/C(=N\CCc1cc(F)ccc1F)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide?
The InChIKey is VVOHQLNPBNNTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3.HI/c1-2-19-16(21-14-5-3-4-6-14)20-10-9-12-11-13(17)7-8-15(12)18;/h7-8,11,14H,2-6,9-10H2,1H3,(H2,19,20,21);1H.
What are the key properties of 1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide?
1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide has a molecular weight of 423.29 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111965424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).