N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

C18H32IN5O2 — CID 111725784

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(c1ccco1)N(C)C)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C18H31N5O2.HI/c1-19-18(20-13-16(21(2)3)17-5-4-10-25-17)23-7-6-15(14-23)22-8-11-24-12-9-22;/h4-5,10,15-16H,6-9,11-14H2,1-3H3,(H,19,20);1H
InChIKeyOEVPUUHVYFTUGZ-UHFFFAOYSA-N
MW477.39 g/mol
LogP1.48
Rot. Bonds5

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111725784) has the molecular formula C18H32IN5O2 and a molecular weight of 477.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111725784
Molecular FormulaC18H32IN5O2
Molecular Weight477.39 g/mol
Exact Mass477.16
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(c1ccco1)N(C)C)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C18H31N5O2.HI/c1-19-18(20-13-16(21(2)3)17-5-4-10-25-17)23-7-6-15(14-23)22-8-11-24-12-9-22;/h4-5,10,15-16H,6-9,11-14H2,1-3H3,(H,19,20);1H
InChIKeyOEVPUUHVYFTUGZ-UHFFFAOYSA-N
XLogP1.48
TPSA56.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 111725784) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCC(c1ccco1)N(C)C)N1CCC(N2CCOCC2)C1.I.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is OEVPUUHVYFTUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2.HI/c1-19-18(20-13-16(21(2)3)17-5-4-10-25-17)23-7-6-15(14-23)22-8-11-24-12-9-22;/h4-5,10,15-16H,6-9,11-14H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 477.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111725784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).