N-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

C19H28BrIN4O — CID 111725788

IUPACN-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NC1CC1c1ccc(Br)cc1)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C19H27BrN4O.HI/c1-21-19(22-18-12-17(18)14-2-4-15(20)5-3-14)24-7-6-16(13-24)23-8-10-25-11-9-23;/h2-5,16-18H,6-13H2,1H3,(H,21,22);1H
InChIKeyUBFRZJXFOMXBMI-UHFFFAOYSA-N
MW535.27 g/mol
LogP2.90
Rot. Bonds3

About N-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

N-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111725788) has the molecular formula C19H28BrIN4O and a molecular weight of 535.27 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111725788
Molecular FormulaC19H28BrIN4O
Molecular Weight535.27 g/mol
Exact Mass534.05
IUPAC NameN-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NC1CC1c1ccc(Br)cc1)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C19H27BrN4O.HI/c1-21-19(22-18-12-17(18)14-2-4-15(20)5-3-14)24-7-6-16(13-24)23-8-10-25-11-9-23;/h2-5,16-18H,6-13H2,1H3,(H,21,22);1H
InChIKeyUBFRZJXFOMXBMI-UHFFFAOYSA-N
XLogP2.90
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.27
LogP ≤ 52.90
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'-methyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726217
N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide
CID 111346472
N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727246
N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 111723639
N'-methyl-3-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111726700
N-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 119142633
N-[(3-fluorophenyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727014
1-[2-(4-bromophenyl)cyclopropyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315851
4-[[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111726300
N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide
CID 111321640
N-[2-(4-fluorophenyl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726696
N,N-dimethyl-4-[[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111727786

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 111725788) is N-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NC1CC1c1ccc(Br)cc1)N1CCC(N2CCOCC2)C1.I.
What is the InChIKey of N-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is UBFRZJXFOMXBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN4O.HI/c1-21-19(22-18-12-17(18)14-2-4-15(20)5-3-14)24-7-6-16(13-24)23-8-10-25-11-9-23;/h2-5,16-18H,6-13H2,1H3,(H,21,22);1H.
What are the key properties of N-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
N-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 535.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111725788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).