N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide

C22H44N4O3 — CID 111747364

IUPACN-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(C(CC)CC)N1CCOCC1)N1CCC(COCCOC)C1
InChIInChI=1S/C22H44N4O3/c1-5-20(6-2)21(25-10-12-28-13-11-25)16-24-22(23-7-3)26-9-8-19(17-26)18-29-15-14-27-4/h19-21H,5-18H2,1-4H3,(H,23,24)
InChIKeySWYLIAVYJBKUPM-UHFFFAOYSA-N
MW412.62 g/mol
LogP2.07
Rot. Bonds12

About N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide

N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 111747364) has the molecular formula C22H44N4O3 and a molecular weight of 412.62 g/mol. Its IUPAC name is N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
PubChem CID111747364
Molecular FormulaC22H44N4O3
Molecular Weight412.62 g/mol
Exact Mass412.34
IUPAC NameN-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(C(CC)CC)N1CCOCC1)N1CCC(COCCOC)C1
InChIInChI=1S/C22H44N4O3/c1-5-20(6-2)21(25-10-12-28-13-11-25)16-24-22(23-7-3)26-9-8-19(17-26)18-29-15-14-27-4/h19-21H,5-18H2,1-4H3,(H,23,24)
InChIKeySWYLIAVYJBKUPM-UHFFFAOYSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 52.07
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'}

Analyze N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)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-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111747365
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-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-[2-[[ethylamino-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111746194
1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 111936530
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-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111746252
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-1-carboximidamide
CID 111745699
methyl 5-[[ethylamino-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methylidene]amino]pentanoate;hydroiodide
CID 111746692

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide (CID 111747364) is N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide is CCN/C(=N\CC(C(CC)CC)N1CCOCC1)N1CCC(COCCOC)C1.
What is the InChIKey of N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is SWYLIAVYJBKUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N4O3/c1-5-20(6-2)21(25-10-12-28-13-11-25)16-24-22(23-7-3)26-9-8-19(17-26)18-29-15-14-27-4/h19-21H,5-18H2,1-4H3,(H,23,24).
What are the key properties of N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 412.62 g/mol, XLogP of 2.07, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111747364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).