1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine

C21H30N4O — CID 110937620

IUPAC1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC(c1ccc(C)cc1)N1CCCC1
InChIInChI=1S/C21H30N4O/c1-3-22-21(23-15-19-7-6-14-26-19)24-16-20(25-12-4-5-13-25)18-10-8-17(2)9-11-18/h6-11,14,20H,3-5,12-13,15-16H2,1-2H3,(H2,22,23,24)
InChIKeyJDXKIFAGBLZEAC-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.48
Rot. Bonds7

About 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine

1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine (PubChem CID 110937620) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine
PubChem CID110937620
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC(c1ccc(C)cc1)N1CCCC1
InChIInChI=1S/C21H30N4O/c1-3-22-21(23-15-19-7-6-14-26-19)24-16-20(25-12-4-5-13-25)18-10-8-17(2)9-11-18/h6-11,14,20H,3-5,12-13,15-16H2,1-2H3,(H2,22,23,24)
InChIKeyJDXKIFAGBLZEAC-UHFFFAOYSA-N
XLogP3.48
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.48
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-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111522531
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111257443
1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111964887
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[[4-(methoxymethyl)phenyl]methyl]guanidine
CID 111007073
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111009010
2-[(2,5-dimethylfuran-3-yl)methyl]-1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111580790
1-ethyl-2-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111326789
1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 75532496
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
CID 111304953
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine;hydroiodide
CID 111304290
1-ethyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111008294
1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937529

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine?
The IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine (CID 110937620) is 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine?
The canonical SMILES for 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine is CCN/C(=N\Cc1ccco1)NCC(c1ccc(C)cc1)N1CCCC1.
What is the InChIKey of 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine?
The InChIKey is JDXKIFAGBLZEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-22-21(23-15-19-7-6-14-26-19)24-16-20(25-12-4-5-13-25)18-10-8-17(2)9-11-18/h6-11,14,20H,3-5,12-13,15-16H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine?
1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine has a molecular weight of 354.50 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine is sourced from PubChem (CID 110937620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).