N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide

C20H35IN4O2 — CID 111738535

IUPACN-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(c1ccc(C)o1)N1CCOCC1)N1CCC(C)(C)C1.I
InChIInChI=1S/C20H34N4O2.HI/c1-5-21-19(24-9-8-20(3,4)15-24)22-14-17(18-7-6-16(2)26-18)23-10-12-25-13-11-23;/h6-7,17H,5,8-15H2,1-4H3,(H,21,22);1H
InChIKeyRKACVHKAFQLKIB-UHFFFAOYSA-N
MW490.43 g/mol
LogP3.28
Rot. Bonds5

About N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide

N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111738535) has the molecular formula C20H35IN4O2 and a molecular weight of 490.43 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111738535
Molecular FormulaC20H35IN4O2
Molecular Weight490.43 g/mol
Exact Mass490.18
IUPAC NameN-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(c1ccc(C)o1)N1CCOCC1)N1CCC(C)(C)C1.I
InChIInChI=1S/C20H34N4O2.HI/c1-5-21-19(24-9-8-20(3,4)15-24)22-14-17(18-7-6-16(2)26-18)23-10-12-25-13-11-23;/h6-7,17H,5,8-15H2,1-4H3,(H,21,22);1H
InChIKeyRKACVHKAFQLKIB-UHFFFAOYSA-N
XLogP3.28
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.43
LogP ≤ 53.28
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-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732689
N-ethyl-4-methyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111210800
N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
CID 111739906
1-cyclohexyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 110959034
1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 110927951
1-(4-ethoxybutyl)-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111946142
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199167
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111261490
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972438
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111693716
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111362507
N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732706

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 111738535) is N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(c1ccc(C)o1)N1CCOCC1)N1CCC(C)(C)C1.I.
What is the InChIKey of N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is RKACVHKAFQLKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2.HI/c1-5-21-19(24-9-8-20(3,4)15-24)22-14-17(18-7-6-16(2)26-18)23-10-12-25-13-11-23;/h6-7,17H,5,8-15H2,1-4H3,(H,21,22);1H.
What are the key properties of N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide?
N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 490.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111738535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).