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

C20H27N3O — CID 110954212

IUPAC2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine
SMILESc1ccc(C/N=C(\NCCc2ccco2)NC2CCCCC2)cc1
InChIInChI=1S/C20H27N3O/c1-3-8-17(9-4-1)16-22-20(23-18-10-5-2-6-11-18)21-14-13-19-12-7-15-24-19/h1,3-4,7-9,12,15,18H,2,5-6,10-11,13-14,16H2,(H2,21,22,23)
InChIKeyXYQUTILNSQDBSK-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.89
Rot. Bonds6

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

2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 110954212) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine
PubChem CID110954212
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine
SMILESc1ccc(C/N=C(\NCCc2ccco2)NC2CCCCC2)cc1
InChIInChI=1S/C20H27N3O/c1-3-8-17(9-4-1)16-22-20(23-18-10-5-2-6-11-18)21-14-13-19-12-7-15-24-19/h1,3-4,7-9,12,15,18H,2,5-6,10-11,13-14,16H2,(H2,21,22,23)
InChIKeyXYQUTILNSQDBSK-UHFFFAOYSA-N
XLogP3.89
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.89
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-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938471
2-benzyl-1-cyclopent-3-en-1-yl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110059651
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]guanidine;hydroiodide
CID 110060291
2-benzyl-1-(1-benzylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110954221
1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 111353446
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110958702
methyl 4-[[[(cyclopentylamino)-[2-(furan-2-yl)ethylamino]methylidene]amino]methyl]benzoate;hydroiodide
CID 111841345
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111494009
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909919
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine
CID 110052482
2-[4-[[N'-benzyl-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide
CID 110054630
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine
CID 110051728

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine (CID 110954212) is 2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine is c1ccc(C/N=C(\NCCc2ccco2)NC2CCCCC2)cc1.
What is the InChIKey of 2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is XYQUTILNSQDBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-8-17(9-4-1)16-22-20(23-18-10-5-2-6-11-18)21-14-13-19-12-7-15-24-19/h1,3-4,7-9,12,15,18H,2,5-6,10-11,13-14,16H2,(H2,21,22,23).
What are the key properties of 2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine?
2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 325.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 110954212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).