N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

C21H32IN3O2 — CID 109480509

IUPACN'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC1=CCOCC1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C21H31N3O2.HI/c1-3-22-21(23-11-8-18-9-13-25-14-10-18)24-12-15-26-20(16-24)19-7-5-4-6-17(19)2;/h4-7,9,20H,3,8,10-16H2,1-2H3,(H,22,23);1H
InChIKeyXODJCGXOFWRFLR-UHFFFAOYSA-N
MW485.41 g/mol
LogP3.69
Rot. Bonds5

About N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 109480509) has the molecular formula C21H32IN3O2 and a molecular weight of 485.41 g/mol. Its IUPAC name is N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID109480509
Molecular FormulaC21H32IN3O2
Molecular Weight485.41 g/mol
Exact Mass485.15
IUPAC NameN'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC1=CCOCC1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C21H31N3O2.HI/c1-3-22-21(23-11-8-18-9-13-25-14-10-18)24-12-15-26-20(16-24)19-7-5-4-6-17(19)2;/h4-7,9,20H,3,8,10-16H2,1-2H3,(H,22,23);1H
InChIKeyXODJCGXOFWRFLR-UHFFFAOYSA-N
XLogP3.69
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-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

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480193
N'-(2-ethoxyethyl)-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479664
N-ethyl-N'-[2-(3-hydroxyphenyl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479510
N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide
CID 109479902
N-ethyl-2-(2-methylphenyl)-N'-[2-(6-methyl-3-pyridinyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480481
N-ethyl-2-(2-methylphenyl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109481388
N-ethyl-2-(2-methylphenyl)-N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480990
N-[4-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 109481476
N-ethyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481754
N-ethyl-N'-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479680
N-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109480489
N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109479828

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (CID 109480509) is N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is CCN/C(=N\CCC1=CCOCC1)N1CCOC(c2ccccc2C)C1.I.
What is the InChIKey of N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is XODJCGXOFWRFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.HI/c1-3-22-21(23-11-8-18-9-13-25-14-10-18)24-12-15-26-20(16-24)19-7-5-4-6-17(19)2;/h4-7,9,20H,3,8,10-16H2,1-2H3,(H,22,23);1H.
What are the key properties of N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 485.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109480509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).