N-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide

C20H41IN4O3 — CID 111747365

IUPACN-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C(C)C)N1CCOCC1)N1CCC(COCCOC)C1.I
InChIInChI=1S/C20H40N4O3.HI/c1-5-21-20(24-7-6-18(15-24)16-27-13-12-25-4)22-14-19(17(2)3)23-8-10-26-11-9-23;/h17-19H,5-16H2,1-4H3,(H,21,22);1H
InChIKeyRIRDYWNYTNIBQP-UHFFFAOYSA-N
MW512.48 g/mol
LogP1.91
Rot. Bonds10

About N-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide

N-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111747365) has the molecular formula C20H41IN4O3 and a molecular weight of 512.48 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111747365
Molecular FormulaC20H41IN4O3
Molecular Weight512.48 g/mol
Exact Mass512.22
IUPAC NameN-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C(C)C)N1CCOCC1)N1CCC(COCCOC)C1.I
InChIInChI=1S/C20H40N4O3.HI/c1-5-21-20(24-7-6-18(15-24)16-27-13-12-25-4)22-14-19(17(2)3)23-8-10-26-11-9-23;/h17-19H,5-16H2,1-4H3,(H,21,22);1H
InChIKeyRIRDYWNYTNIBQP-UHFFFAOYSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111747364
N-ethyl-3-(2-methoxyethoxymethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111746658
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(2-methoxyethoxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111747794
N-[2-[[ethylamino-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111746194
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(2-methoxyethoxy)propyl]pyrrolidine-1-carboximidamide
CID 111747795
N-ethyl-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111746458
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111746252
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111747404
N'-[7-(dimethylamino)heptyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111748256
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(N-methylanilino)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111745834
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-1-carboximidamide
CID 111745699
tert-butyl N-[1-[N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111730191

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111747365) is N-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C(C)C)N1CCOCC1)N1CCC(COCCOC)C1.I.
What is the InChIKey of N-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is RIRDYWNYTNIBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O3.HI/c1-5-21-20(24-7-6-18(15-24)16-27-13-12-25-4)22-14-19(17(2)3)23-8-10-26-11-9-23;/h17-19H,5-16H2,1-4H3,(H,21,22);1H.
What are the key properties of N-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide?
N-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 512.48 g/mol, XLogP of 1.91, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111747365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).