N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide

C23H39IN4O2 — CID 110056339

IUPACN'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESI.c1coc(CCN/C(=N\CC2CCCCC2)N2CCC(CN3CCOCC3)C2)c1
InChIInChI=1S/C23H38N4O2.HI/c1-2-5-20(6-3-1)17-25-23(24-10-8-22-7-4-14-29-22)27-11-9-21(19-27)18-26-12-15-28-16-13-26;/h4,7,14,20-21H,1-3,5-6,8-13,15-19H2,(H,24,25);1H
InChIKeyZPZRIOLZQZHFRK-UHFFFAOYSA-N
MW530.50 g/mol
LogP3.62
Rot. Bonds7

About N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide

N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 110056339) has the molecular formula C23H39IN4O2 and a molecular weight of 530.50 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID110056339
Molecular FormulaC23H39IN4O2
Molecular Weight530.50 g/mol
Exact Mass530.21
IUPAC NameN'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESI.c1coc(CCN/C(=N\CC2CCCCC2)N2CCC(CN3CCOCC3)C2)c1
InChIInChI=1S/C23H38N4O2.HI/c1-2-5-20(6-3-1)17-25-23(24-10-8-22-7-4-14-29-22)27-11-9-21(19-27)18-26-12-15-28-16-13-26;/h4,7,14,20-21H,1-3,5-6,8-13,15-19H2,(H,24,25);1H
InChIKeyZPZRIOLZQZHFRK-UHFFFAOYSA-N
XLogP3.62
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.50
LogP ≤ 53.62
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-propylpyrrolidine-1-carboximidamide;hydroiodide
CID 110056319
N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056190
N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
CID 110056334
N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056386
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'-(2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056202
N-[2-(furan-2-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056217
N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 110053405
3-(ethoxymethyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056641
N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide
CID 110058005
N-[2-(furan-2-yl)ethyl]-3-morpholin-4-yl-N'-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110054873
N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide
CID 110057376

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 110056339) is N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide is I.c1coc(CCN/C(=N\CC2CCCCC2)N2CCC(CN3CCOCC3)C2)c1.
What is the InChIKey of N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is ZPZRIOLZQZHFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2.HI/c1-2-5-20(6-3-1)17-25-23(24-10-8-22-7-4-14-29-22)27-11-9-21(19-27)18-26-12-15-28-16-13-26;/h4,7,14,20-21H,1-3,5-6,8-13,15-19H2,(H,24,25);1H.
What are the key properties of N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 530.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110056339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).