1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine

C20H31F3N4O2 — CID 110054152

IUPAC1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine
SMILESFC(F)(F)C1CCCC(N/C(=N/CCN2CCOCC2)NCCc2ccco2)C1
InChIInChI=1S/C20H31F3N4O2/c21-20(22,23)16-3-1-4-17(15-16)26-19(24-7-6-18-5-2-12-29-18)25-8-9-27-10-13-28-14-11-27/h2,5,12,16-17H,1,3-4,6-11,13-15H2,(H2,24,25,26)
InChIKeySNRSAPVJZDVQKV-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.81
Rot. Bonds7

About 1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine

1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine (PubChem CID 110054152) has the molecular formula C20H31F3N4O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine
PubChem CID110054152
Molecular FormulaC20H31F3N4O2
Molecular Weight416.49 g/mol
Exact Mass416.24
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine
SMILESFC(F)(F)C1CCCC(N/C(=N/CCN2CCOCC2)NCCc2ccco2)C1
InChIInChI=1S/C20H31F3N4O2/c21-20(22,23)16-3-1-4-17(15-16)26-19(24-7-6-18-5-2-12-29-18)25-8-9-27-10-13-28-14-11-27/h2,5,12,16-17H,1,3-4,6-11,13-15H2,(H2,24,25,26)
InChIKeySNRSAPVJZDVQKV-UHFFFAOYSA-N
XLogP2.81
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[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-(trifluoromethyl)cyclohexyl]guanidine
CID 110054148
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 110054165
1-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)-3-(thian-3-yl)guanidine;hydroiodide
CID 110056775
1-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317021
1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclopropyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111356262
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110056095
2-[4-[[N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide
CID 110054674
1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-prop-2-enylguanidine
CID 136924075
1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-propylguanidine
CID 111226057
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide
CID 110038941
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)guanidine
CID 111777340

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine (CID 110054152) is 1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine is FC(F)(F)C1CCCC(N/C(=N/CCN2CCOCC2)NCCc2ccco2)C1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine?
The InChIKey is SNRSAPVJZDVQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F3N4O2/c21-20(22,23)16-3-1-4-17(15-16)26-19(24-7-6-18-5-2-12-29-18)25-8-9-27-10-13-28-14-11-27/h2,5,12,16-17H,1,3-4,6-11,13-15H2,(H2,24,25,26).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine?
1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine has a molecular weight of 416.49 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine is sourced from PubChem (CID 110054152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).