N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide

C16H34IN3O2 — CID 111744096

IUPACN-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCC(CC)C1CCN(/C(=N/C)NCCOCCOC)C1.I
InChIInChI=1S/C16H33N3O2.HI/c1-5-14(6-2)15-7-9-19(13-15)16(17-3)18-8-10-21-12-11-20-4;/h14-15H,5-13H2,1-4H3,(H,17,18);1H
InChIKeyIRUBGIJOLFGOBT-UHFFFAOYSA-N
MW427.37 g/mol
LogP2.60
Rot. Bonds9

About N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide

N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111744096) has the molecular formula C16H34IN3O2 and a molecular weight of 427.37 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111744096
Molecular FormulaC16H34IN3O2
Molecular Weight427.37 g/mol
Exact Mass427.17
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCC(CC)C1CCN(/C(=N/C)NCCOCCOC)C1.I
InChIInChI=1S/C16H33N3O2.HI/c1-5-14(6-2)15-7-9-19(13-15)16(17-3)18-8-10-21-12-11-20-4;/h14-15H,5-13H2,1-4H3,(H,17,18);1H
InChIKeyIRUBGIJOLFGOBT-UHFFFAOYSA-N
XLogP2.60
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
CID 111743843
N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153374
N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111744010
3-(2-methoxyethoxymethyl)-N-[3-(2-methoxyethoxy)propyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111747201
N-[4-(2-methoxyethoxy)butyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111745993
ethyl 1-[N-[2-(2-methoxyethoxy)ethyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110993343
N-ethyl-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111746458
N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145255
N-[4-(diethylamino)butyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
CID 111743821
N-[3-(ethylsulfonylamino)propyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111743928
2-ethyl-N-[3-(2-methoxyethoxy)propyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485939
N-(2-methoxyethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211562

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 111744096) is N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide is CCC(CC)C1CCN(/C(=N/C)NCCOCCOC)C1.I.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is IRUBGIJOLFGOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2.HI/c1-5-14(6-2)15-7-9-19(13-15)16(17-3)18-8-10-21-12-11-20-4;/h14-15H,5-13H2,1-4H3,(H,17,18);1H.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide?
N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 427.37 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111744096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).