N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide

C21H34N4O2 — CID 110056190

IUPACN-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
SMILESc1coc(CCN/C(=N\CC2CCOC2)N2CCC(CN3CCCC3)C2)c1
InChIInChI=1S/C21H34N4O2/c1-2-10-24(9-1)15-19-6-11-25(16-19)21(23-14-18-7-13-26-17-18)22-8-5-20-4-3-12-27-20/h3-4,12,18-19H,1-2,5-11,13-17H2,(H,22,23)
InChIKeyFBNHARHMWBILSZ-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.22
Rot. Bonds7

About N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide

N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide (PubChem CID 110056190) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
PubChem CID110056190
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC NameN-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
SMILESc1coc(CCN/C(=N\CC2CCOC2)N2CCC(CN3CCCC3)C2)c1
InChIInChI=1S/C21H34N4O2/c1-2-10-24(9-1)15-19-6-11-25(16-19)21(23-14-18-7-13-26-17-18)22-8-5-20-4-3-12-27-20/h3-4,12,18-19H,1-2,5-11,13-17H2,(H,22,23)
InChIKeyFBNHARHMWBILSZ-UHFFFAOYSA-N
XLogP2.22
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056339
N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056230
N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056386
3-(ethoxymethyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056641
N-[2-(furan-2-yl)ethyl]-N'-(2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056202
N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(oxolan-3-ylmethyl)morpholine-4-carboximidamide
CID 110059054
N-[2-(furan-2-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056217
N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-propylpyrrolidine-1-carboximidamide;hydroiodide
CID 110056319
N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
CID 110056334
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056547
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 110057557
1-[2-(furan-2-yl)ethyl]-2-(oxolan-3-ylmethyl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]guanidine
CID 110056032

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide (CID 110056190) is N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide is c1coc(CCN/C(=N\CC2CCOC2)N2CCC(CN3CCCC3)C2)c1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide?
The InChIKey is FBNHARHMWBILSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-2-10-24(9-1)15-19-6-11-25(16-19)21(23-14-18-7-13-26-17-18)22-8-5-20-4-3-12-27-20/h3-4,12,18-19H,1-2,5-11,13-17H2,(H,22,23).
What are the key properties of N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide?
N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide has a molecular weight of 374.53 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110056190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).