N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide

C20H30N4O — CID 110056278

IUPACN-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide
SMILESC1=CCN(C2CCN(/C(=N\CCc3ccco3)NC3CCCC3)C2)C1
InChIInChI=1S/C20H30N4O/c1-2-7-17(6-1)22-20(21-11-9-19-8-5-15-25-19)24-14-10-18(16-24)23-12-3-4-13-23/h3-5,8,15,17-18H,1-2,6-7,9-14,16H2,(H,21,22)
InChIKeyCWQUQQHMOUQCQR-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.66
Rot. Bonds5

About N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide

N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide (PubChem CID 110056278) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide
PubChem CID110056278
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide
SMILESC1=CCN(C2CCN(/C(=N\CCc3ccco3)NC3CCCC3)C2)C1
InChIInChI=1S/C20H30N4O/c1-2-7-17(6-1)22-20(21-11-9-19-8-5-15-25-19)24-14-10-18(16-24)23-12-3-4-13-23/h3-5,8,15,17-18H,1-2,6-7,9-14,16H2,(H,21,22)
InChIKeyCWQUQQHMOUQCQR-UHFFFAOYSA-N
XLogP2.66
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956337
4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111493547
N'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 110054875
N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide
CID 110057464
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054124
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110054123
ethyl 4-[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 110053361
ethyl 1-[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110053251
N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 110057373
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 110055435
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111841705

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide (CID 110056278) is N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide is C1=CCN(C2CCN(/C(=N\CCc3ccco3)NC3CCCC3)C2)C1.
What is the InChIKey of N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide?
The InChIKey is CWQUQQHMOUQCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-2-7-17(6-1)22-20(21-11-9-19-8-5-15-25-19)24-14-10-18(16-24)23-12-3-4-13-23/h3-5,8,15,17-18H,1-2,6-7,9-14,16H2,(H,21,22).
What are the key properties of N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide?
N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide has a molecular weight of 342.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110056278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).