1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide

C19H29F3IN3O — CID 110054165

IUPAC1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
SMILESFC(F)(F)C1CCCC(N/C(=N/CCc2ccco2)NC2CCCC2)C1.I
InChIInChI=1S/C19H28F3N3O.HI/c20-19(21,22)14-5-3-8-16(13-14)25-18(24-15-6-1-2-7-15)23-11-10-17-9-4-12-26-17;/h4,9,12,14-16H,1-3,5-8,10-11,13H2,(H2,23,24,25);1H
InChIKeyFCVGASQFGYVKDN-UHFFFAOYSA-N
MW499.36 g/mol
LogP5.04
Rot. Bonds5

About 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide

1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide (PubChem CID 110054165) has the molecular formula C19H29F3IN3O and a molecular weight of 499.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
PubChem CID110054165
Molecular FormulaC19H29F3IN3O
Molecular Weight499.36 g/mol
Exact Mass499.13
IUPAC Name1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
SMILESFC(F)(F)C1CCCC(N/C(=N/CCc2ccco2)NC2CCCC2)C1.I
InChIInChI=1S/C19H28F3N3O.HI/c20-19(21,22)14-5-3-8-16(13-14)25-18(24-15-6-1-2-7-15)23-11-10-17-9-4-12-26-17;/h4,9,12,14-16H,1-3,5-8,10-11,13H2,(H2,23,24,25);1H
InChIKeyFCVGASQFGYVKDN-UHFFFAOYSA-N
XLogP5.04
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.36
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 110054148
1-[2-(furan-2-yl)ethyl]-2-propyl-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 110054153
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979545
1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 110054152
1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111356294
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110054123
1-cyclopentyl-3-(3-ethylsulfinylcyclohexyl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110057085
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054124
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111841705
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(3-methylcyclohexyl)guanidine;hydroiodide
CID 110054555
1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054414

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide (CID 110054165) is 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide is FC(F)(F)C1CCCC(N/C(=N/CCc2ccco2)NC2CCCC2)C1.I.
What is the InChIKey of 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide?
The InChIKey is FCVGASQFGYVKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O.HI/c20-19(21,22)14-5-3-8-16(13-14)25-18(24-15-6-1-2-7-15)23-11-10-17-9-4-12-26-17;/h4,9,12,14-16H,1-3,5-8,10-11,13H2,(H2,23,24,25);1H.
What are the key properties of 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide?
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide has a molecular weight of 499.36 g/mol, XLogP of 5.04, 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-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide is sourced from PubChem (CID 110054165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).