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

C16H24F3N3O — CID 110054148

IUPAC1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine
SMILESCCN/C(=N\CCc1ccco1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H24F3N3O/c1-2-20-15(21-9-8-14-7-4-10-23-14)22-13-6-3-5-12(11-13)16(17,18)19/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3,(H2,20,21,22)
InChIKeyQWFRTTNULZTMLP-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.50
Rot. Bonds5

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

1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine (PubChem CID 110054148) has the molecular formula C16H24F3N3O and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine
PubChem CID110054148
Molecular FormulaC16H24F3N3O
Molecular Weight331.38 g/mol
Exact Mass331.19
IUPAC Name1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine
SMILESCCN/C(=N\CCc1ccco1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H24F3N3O/c1-2-20-15(21-9-8-14-7-4-10-23-14)22-13-6-3-5-12(11-13)16(17,18)19/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3,(H2,20,21,22)
InChIKeyQWFRTTNULZTMLP-UHFFFAOYSA-N
XLogP3.50
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.50
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'}

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Related Compounds

1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 110054165
1-[2-(furan-2-yl)ethyl]-2-propyl-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 110054153
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(3-methylcyclohexyl)guanidine;hydroiodide
CID 110054555
1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 110054152
tert-butyl N-[4-[[N-ethyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]cyclohexyl]carbamate
CID 110055376
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
tert-butyl 3-[[N-ethyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 110055200
1-cyclopentyl-3-(3-ethylsulfinylcyclohexyl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110057085
1-ethyl-2-(2-hydroxy-3-phenylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 111992220
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine
CID 110060922
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111316039
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]guanidine
CID 110054472

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine (CID 110054148) is 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine is CCN/C(=N\CCc1ccco1)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine?
The InChIKey is QWFRTTNULZTMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O/c1-2-20-15(21-9-8-14-7-4-10-23-14)22-13-6-3-5-12(11-13)16(17,18)19/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine?
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine has a molecular weight of 331.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine is sourced from PubChem (CID 110054148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).