1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine

C20H27N3O — CID 110054544

IUPAC1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine
SMILESC/N=C(\NCCc1ccco1)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H27N3O/c1-21-20(22-14-13-19-8-5-15-24-19)23-18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-8,15,17-18H,9-14H2,1H3,(H2,21,22,23)
InChIKeyTVKHHUFGGYFRFZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.71
Rot. Bonds5

About 1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine

1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine (PubChem CID 110054544) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine
PubChem CID110054544
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine
SMILESC/N=C(\NCCc1ccco1)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H27N3O/c1-21-20(22-14-13-19-8-5-15-24-19)23-18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-8,15,17-18H,9-14H2,1H3,(H2,21,22,23)
InChIKeyTVKHHUFGGYFRFZ-UHFFFAOYSA-N
XLogP3.71
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.71
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

N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 43395503
ethyl 4-[[N-[2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]cyclohexane-1-carboxylate;hydroiodide
CID 110054963
1-[2-(furan-2-yl)ethyl]-3-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 110055087
1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110991138
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111558594
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110054053
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 110054443
N-cyclohexyl-2-[[N-[2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111356346
2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 110954212
1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111501187
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938471
1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111775567

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine (CID 110054544) is 1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine is C/N=C(\NCCc1ccco1)NC1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine?
The InChIKey is TVKHHUFGGYFRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-21-20(22-14-13-19-8-5-15-24-19)23-18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-8,15,17-18H,9-14H2,1H3,(H2,21,22,23).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine?
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine has a molecular weight of 325.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine is sourced from PubChem (CID 110054544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).