N'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

C23H37IN4O — CID 111727446

IUPACN'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC1(c2cccc(C)c2)CCCC1)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C23H36N4O.HI/c1-19-6-5-7-20(16-19)23(9-3-4-10-23)18-25-22(24-2)27-11-8-21(17-27)26-12-14-28-15-13-26;/h5-7,16,21H,3-4,8-15,17-18H2,1-2H3,(H,24,25);1H
InChIKeyRIQHGLYPHXTVOL-UHFFFAOYSA-N
MW512.48 g/mol
LogP3.41
Rot. Bonds4

About N'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

N'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111727446) has the molecular formula C23H37IN4O and a molecular weight of 512.48 g/mol. Its IUPAC name is N'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111727446
Molecular FormulaC23H37IN4O
Molecular Weight512.48 g/mol
Exact Mass512.20
IUPAC NameN'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC1(c2cccc(C)c2)CCCC1)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C23H36N4O.HI/c1-19-6-5-7-20(16-19)23(9-3-4-10-23)18-25-22(24-2)27-11-8-21(17-27)26-12-14-28-15-13-26;/h5-7,16,21H,3-4,8-15,17-18H2,1-2H3,(H,24,25);1H
InChIKeyRIQHGLYPHXTVOL-UHFFFAOYSA-N
XLogP3.41
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.48
LogP ≤ 53.41
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'}

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Related Compounds

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727427
N'-methyl-N-[2-(3-methylphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726240
N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143161
2-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111727410
N-[(3-fluorophenyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727014
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210174
N-[[3-(dimethylamino)phenyl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727013
N-[(3-fluoro-4-methylphenyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726634
N'-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728590
N-(cyclooctylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728150
N'-methyl-3-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111726700
N'-methyl-3-morpholin-4-yl-N-(2-phenoxyethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111727060

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 111727446) is N'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCC1(c2cccc(C)c2)CCCC1)N1CCC(N2CCOCC2)C1.I.
What is the InChIKey of N'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is RIQHGLYPHXTVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O.HI/c1-19-6-5-7-20(16-19)23(9-3-4-10-23)18-25-22(24-2)27-11-8-21(17-27)26-12-14-28-15-13-26;/h5-7,16,21H,3-4,8-15,17-18H2,1-2H3,(H,24,25);1H.
What are the key properties of N'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
N'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 512.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111727446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).