3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide

C23H37IN4O2 — CID 111724800

IUPAC3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC(C1CCOC1)N1CCOCC1)N1CCC(Cc2ccccc2)C1.I
InChIInChI=1S/C23H36N4O2.HI/c1-24-23(27-9-7-20(17-27)15-19-5-3-2-4-6-19)25-16-22(21-8-12-29-18-21)26-10-13-28-14-11-26;/h2-6,20-22H,7-18H2,1H3,(H,24,25);1H
InChIKeyOJCIQIOROXHIIO-UHFFFAOYSA-N
MW528.48 g/mol
LogP2.48
Rot. Bonds6

About 3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide

3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111724800) has the molecular formula C23H37IN4O2 and a molecular weight of 528.48 g/mol. Its IUPAC name is 3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111724800
Molecular FormulaC23H37IN4O2
Molecular Weight528.48 g/mol
Exact Mass528.20
IUPAC Name3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC(C1CCOC1)N1CCOCC1)N1CCC(Cc2ccccc2)C1.I
InChIInChI=1S/C23H36N4O2.HI/c1-24-23(27-9-7-20(17-27)15-19-5-3-2-4-6-19)25-16-22(21-8-12-29-18-21)26-10-13-28-14-11-26;/h2-6,20-22H,7-18H2,1H3,(H,24,25);1H
InChIKeyOJCIQIOROXHIIO-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.48
LogP ≤ 52.48
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'}

Analyze 3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide 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

3-benzyl-N'-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111725060
2-methyl-1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111326635
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526019
3-benzyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111724655
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
3-benzyl-N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboximidamide
CID 111724653
N-[2-[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide
CID 111724827
2-methyl-1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(3-phenylsulfanylpropyl)guanidine
CID 111288827
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine;hydroiodide
CID 111865217
N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724066
4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111152499
3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111725187

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 111724800) is 3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCC(C1CCOC1)N1CCOCC1)N1CCC(Cc2ccccc2)C1.I.
What is the InChIKey of 3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is OJCIQIOROXHIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2.HI/c1-24-23(27-9-7-20(17-27)15-19-5-3-2-4-6-19)25-16-22(21-8-12-29-18-21)26-10-13-28-14-11-26;/h2-6,20-22H,7-18H2,1H3,(H,24,25);1H.
What are the key properties of 3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 528.48 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N'-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111724800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).