N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide

C19H25N3O — CID 111493000

IUPACN'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide
SMILESCC(N/C(=N/CCc1ccco1)N1CCCC1)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-16(17-8-3-2-4-9-17)21-19(22-13-5-6-14-22)20-12-11-18-10-7-15-23-18/h2-4,7-10,15-16H,5-6,11-14H2,1H3,(H,20,21)
InChIKeyKQTSYQXIFSRHMJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.62
Rot. Bonds5

About N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide

N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide (PubChem CID 111493000) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide
PubChem CID111493000
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide
SMILESCC(N/C(=N/CCc1ccco1)N1CCCC1)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-16(17-8-3-2-4-9-17)21-19(22-13-5-6-14-22)20-12-11-18-10-7-15-23-18/h2-4,7-10,15-16H,5-6,11-14H2,1H3,(H,20,21)
InChIKeyKQTSYQXIFSRHMJ-UHFFFAOYSA-N
XLogP3.62
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
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]-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056139
N'-[2-(furan-2-yl)ethyl]-4-hydroxy-N-propan-2-ylpiperidine-1-carboximidamide;hydroiodide
CID 119139978
N'-[2-(furan-2-yl)ethyl]-4-methyl-N-propan-2-ylpiperidine-1-carboximidamide;hydroiodide
CID 119139910
N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 110053296
1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine
CID 110054522
N'-[2-(furan-2-yl)ethyl]-N-propan-2-yl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119139902
N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 110056980
2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclopropyl)-3-(1-phenylethyl)guanidine;hydroiodide
CID 111753947
N-cyclohexyl-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956337
2-[2-(furan-2-yl)ethyl]-1-(1-phenylethyl)-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide
CID 110059913
2-[2-(furan-2-yl)ethyl]-1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-phenylethyl)guanidine
CID 110057288
ethyl 1-[N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 110053320

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide (CID 111493000) is N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide is CC(N/C(=N/CCc1ccco1)N1CCCC1)c1ccccc1.
What is the InChIKey of N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide?
The InChIKey is KQTSYQXIFSRHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-16(17-8-3-2-4-9-17)21-19(22-13-5-6-14-22)20-12-11-18-10-7-15-23-18/h2-4,7-10,15-16H,5-6,11-14H2,1H3,(H,20,21).
What are the key properties of N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide?
N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide has a molecular weight of 311.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111493000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).