1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine

C24H34N4O — CID 110055948

IUPAC1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\NCCc1ccco1)NC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C24H34N4O/c1-2-13-25-24(26-14-12-23-9-6-15-29-23)27-20-16-21-10-11-22(17-20)28(21)18-19-7-4-3-5-8-19/h3-9,15,20-22H,2,10-14,16-18H2,1H3,(H2,25,26,27)
InChIKeySULURFNXGVAMSR-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.96
Rot. Bonds8

About 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine

1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine (PubChem CID 110055948) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine
PubChem CID110055948
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\NCCc1ccco1)NC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C24H34N4O/c1-2-13-25-24(26-14-12-23-9-6-15-29-23)27-20-16-21-10-11-22(17-20)28(21)18-19-7-4-3-5-8-19/h3-9,15,20-22H,2,10-14,16-18H2,1H3,(H2,25,26,27)
InChIKeySULURFNXGVAMSR-UHFFFAOYSA-N
XLogP3.96
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.96
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-(1-benzylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110986955
1-cyclopent-3-en-1-yl-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110059677
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111994913
1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110056465
1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine
CID 110054476
1-(1,1-dioxothiolan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine
CID 111766749
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide
CID 86934136
2-benzyl-1-(1-benzylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110954221
1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine
CID 110056760
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-propylguanidine
CID 110054598
1-[2-(furan-2-yl)ethyl]-2-propyl-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 110054153
2-[[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041432

Frequently Asked Questions

What is the IUPAC name of 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine?
The IUPAC name of 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine (CID 110055948) is 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine.
What is the SMILES notation for 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine?
The canonical SMILES for 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine is CCC/N=C(\NCCc1ccco1)NC1CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine?
The InChIKey is SULURFNXGVAMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-2-13-25-24(26-14-12-23-9-6-15-29-23)27-20-16-21-10-11-22(17-20)28(21)18-19-7-4-3-5-8-19/h3-9,15,20-22H,2,10-14,16-18H2,1H3,(H2,25,26,27).
What are the key properties of 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine?
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine has a molecular weight of 394.56 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine is sourced from PubChem (CID 110055948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).