3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

C15H32IN3O — CID 111998274

IUPAC3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCOCC1CCN(/C(=N/C)NCC(CC)CC)C1.I
InChIInChI=1S/C15H31N3O.HI/c1-5-13(6-2)10-17-15(16-4)18-9-8-14(11-18)12-19-7-3;/h13-14H,5-12H2,1-4H3,(H,16,17);1H
InChIKeyOKMJKCBKKMYXAP-UHFFFAOYSA-N
MW397.35 g/mol
LogP2.97
Rot. Bonds7

About 3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111998274) has the molecular formula C15H32IN3O and a molecular weight of 397.35 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111998274
Molecular FormulaC15H32IN3O
Molecular Weight397.35 g/mol
Exact Mass397.16
IUPAC Name3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCOCC1CCN(/C(=N/C)NCC(CC)CC)C1.I
InChIInChI=1S/C15H31N3O.HI/c1-5-13(6-2)10-17-15(16-4)18-9-8-14(11-18)12-19-7-3;/h13-14H,5-12H2,1-4H3,(H,16,17);1H
InChIKeyOKMJKCBKKMYXAP-UHFFFAOYSA-N
XLogP2.97
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-ethylbutyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111985276
N-cyclobutyl-3-(ethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119154357
3-(ethoxymethyl)-N'-methyl-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111997222
N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111983728
N-ethyl-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111746458
ethyl N-[1-[[C-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]-4-methylpentan-2-yl]carbamate;hydroiodide
CID 111745924
N-(2-ethylbutyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111994700
3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride
CID 165496688
3-(ethoxymethyl)-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111997198
N-[[4-(ethoxymethyl)phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526281
3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 111997699
3-(2-methoxyethoxymethyl)-N-[3-(2-methoxyethoxy)propyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111747201

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (CID 111998274) is 3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is CCOCC1CCN(/C(=N/C)NCC(CC)CC)C1.I.
What is the InChIKey of 3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is OKMJKCBKKMYXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.HI/c1-5-13(6-2)10-17-15(16-4)18-9-8-14(11-18)12-19-7-3;/h13-14H,5-12H2,1-4H3,(H,16,17);1H.
What are the key properties of 3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 397.35 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111998274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).