N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

C15H29IN4O — CID 111727246

IUPACN'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CC1C)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C15H28N4O.HI/c1-3-16-15(17-14-10-12(14)2)19-5-4-13(11-19)18-6-8-20-9-7-18;/h12-14H,3-11H2,1-2H3,(H,16,17);1H
InChIKeyLOSCFSSWRKSAJX-UHFFFAOYSA-N
MW408.33 g/mol
LogP1.38
Rot. Bonds3

About N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111727246) has the molecular formula C15H29IN4O and a molecular weight of 408.33 g/mol. Its IUPAC name is N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111727246
Molecular FormulaC15H29IN4O
Molecular Weight408.33 g/mol
Exact Mass408.14
IUPAC NameN'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CC1C)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C15H28N4O.HI/c1-3-16-15(17-14-10-12(14)2)19-5-4-13(11-19)18-6-8-20-9-7-18;/h12-14H,3-11H2,1-2H3,(H,16,17);1H
InChIKeyLOSCFSSWRKSAJX-UHFFFAOYSA-N
XLogP1.38
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 51.38
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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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 111727246) is N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is CC/N=C(/NC1CC1C)N1CCC(N2CCOCC2)C1.I.
What is the InChIKey of N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is LOSCFSSWRKSAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O.HI/c1-3-16-15(17-14-10-12(14)2)19-5-4-13(11-19)18-6-8-20-9-7-18;/h12-14H,3-11H2,1-2H3,(H,16,17);1H.
What are the key properties of N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 408.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111727246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).