N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

C19H38IN5O — CID 119142642

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCN(C)C1CCCCC1)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C19H37N5O.HI/c1-20-19(21-9-11-22(2)17-6-4-3-5-7-17)24-10-8-18(16-24)23-12-14-25-15-13-23;/h17-18H,3-16H2,1-2H3,(H,20,21);1H
InChIKeyJOZUDGNZKFIWEQ-UHFFFAOYSA-N
MW479.45 g/mol
LogP1.85
Rot. Bonds5

About N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119142642) has the molecular formula C19H38IN5O and a molecular weight of 479.45 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119142642
Molecular FormulaC19H38IN5O
Molecular Weight479.45 g/mol
Exact Mass479.21
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCN(C)C1CCCCC1)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C19H37N5O.HI/c1-20-19(21-9-11-22(2)17-6-4-3-5-7-17)24-10-8-18(16-24)23-12-14-25-15-13-23;/h17-18H,3-16H2,1-2H3,(H,20,21);1H
InChIKeyJOZUDGNZKFIWEQ-UHFFFAOYSA-N
XLogP1.85
TPSA43.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.45
LogP ≤ 51.85
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 N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-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

N-(cyclooctylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728150
N,N-dimethyl-3-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 111725756
N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726567
N-[2-[cyclohexyl(methyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111143840
N-(3-methoxypropyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726310
N'-methyl-N-(4-methylpentyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726361
2,2-dimethyl-N-[2-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111726284
N'-methyl-3-morpholin-4-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111726744
N-[2-(4-fluorophenyl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726696
N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725748
N'-methyl-3-morpholin-4-yl-N-(2-phenoxyethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111727060
N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726204

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 119142642) is N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCCN(C)C1CCCCC1)N1CCC(N2CCOCC2)C1.I.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is JOZUDGNZKFIWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O.HI/c1-20-19(21-9-11-22(2)17-6-4-3-5-7-17)24-10-8-18(16-24)23-12-14-25-15-13-23;/h17-18H,3-16H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 479.45 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119142642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).