1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine

C22H32N4O — CID 111354618

IUPAC1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
SMILESCCN/C(=N\CC1CCN(CCc2ccccc2)C1)NCCc1ccco1
InChIInChI=1S/C22H32N4O/c1-2-23-22(24-13-10-21-9-6-16-27-21)25-17-20-12-15-26(18-20)14-11-19-7-4-3-5-8-19/h3-9,16,20H,2,10-15,17-18H2,1H3,(H2,23,24,25)
InChIKeyFSQXUPDICQPYKI-UHFFFAOYSA-N
MW368.53 g/mol
LogP2.94
Rot. Bonds9

About 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine

1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine (PubChem CID 111354618) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
PubChem CID111354618
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
SMILESCCN/C(=N\CC1CCN(CCc2ccccc2)C1)NCCc1ccco1
InChIInChI=1S/C22H32N4O/c1-2-23-22(24-13-10-21-9-6-16-27-21)25-17-20-12-15-26(18-20)14-11-19-7-4-3-5-8-19/h3-9,16,20H,2,10-15,17-18H2,1H3,(H2,23,24,25)
InChIKeyFSQXUPDICQPYKI-UHFFFAOYSA-N
XLogP2.94
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.94
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-ethyl-3-(2-phenylethyl)-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111135529
1-ethyl-3-(3-phenylpropyl)-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111198721
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111190685
1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111408188
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111559928
1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(2-phenylethyl)guanidine
CID 111789070
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111967612
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111354823
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111398559
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111398558
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111882758
2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110061587

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine (CID 111354618) is 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine is CCN/C(=N\CC1CCN(CCc2ccccc2)C1)NCCc1ccco1.
What is the InChIKey of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine?
The InChIKey is FSQXUPDICQPYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-2-23-22(24-13-10-21-9-6-16-27-21)25-17-20-12-15-26(18-20)14-11-19-7-4-3-5-8-19/h3-9,16,20H,2,10-15,17-18H2,1H3,(H2,23,24,25).
What are the key properties of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine?
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine has a molecular weight of 368.53 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine is sourced from PubChem (CID 111354618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).