1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine

C24H36N4O2 — CID 110059964

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine
SMILESO=C(C1CCCC1)N1CCC(N/C(=N\CCc2ccco2)NC2CC3CCC2C3)C1
InChIInChI=1S/C24H36N4O2/c29-23(18-4-1-2-5-18)28-12-10-20(16-28)26-24(25-11-9-21-6-3-13-30-21)27-22-15-17-7-8-19(22)14-17/h3,6,13,17-20,22H,1-2,4-5,7-12,14-16H2,(H2,25,26,27)
InChIKeyBAMIYFUHYPTEPP-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.34
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine

1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 110059964) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine
PubChem CID110059964
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine
SMILESO=C(C1CCCC1)N1CCC(N/C(=N\CCc2ccco2)NC2CC3CCC2C3)C1
InChIInChI=1S/C24H36N4O2/c29-23(18-4-1-2-5-18)28-12-10-20(16-28)26-24(25-11-9-21-6-3-13-30-21)27-22-15-17-7-8-19(22)14-17/h3,6,13,17-20,22H,1-2,4-5,7-12,14-16H2,(H2,25,26,27)
InChIKeyBAMIYFUHYPTEPP-UHFFFAOYSA-N
XLogP3.34
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-bicyclo[2.2.1]heptanyl)-2-[2-(furan-2-yl)ethyl]-3-[1-(3-methoxypropanoyl)piperidin-4-yl]guanidine;hydroiodide
CID 110060353
1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111766770
1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide
CID 110059883
1-(2-bicyclo[2.2.1]heptanyl)-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 110055565
2-[[[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110059736
1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine
CID 110059938
1-(2-bicyclo[2.2.1]heptanyl)-2-[2-(furan-2-yl)ethyl]-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)guanidine
CID 110060520
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
1-(1-ethylsulfonylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide
CID 110054177
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054124
1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 110059340
1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111356294

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine (CID 110059964) is 1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine is O=C(C1CCCC1)N1CCC(N/C(=N\CCc2ccco2)NC2CC3CCC2C3)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is BAMIYFUHYPTEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c29-23(18-4-1-2-5-18)28-12-10-20(16-28)26-24(25-11-9-21-6-3-13-30-21)27-22-15-17-7-8-19(22)14-17/h3,6,13,17-20,22H,1-2,4-5,7-12,14-16H2,(H2,25,26,27).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine?
1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 412.58 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 110059964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).