N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide

C17H29IN4O2 — CID 111739149

IUPACN-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cccnc1OCCOC)N1CCC(C)(C)C1.I
InChIInChI=1S/C17H28N4O2.HI/c1-17(2)7-9-21(13-17)16(18-3)20-12-14-6-5-8-19-15(14)23-11-10-22-4;/h5-6,8H,7,9-13H2,1-4H3,(H,18,20);1H
InChIKeyHISOCHAQMJSRCY-UHFFFAOYSA-N
MW448.35 g/mol
LogP2.53
Rot. Bonds6

About N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide

N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111739149) has the molecular formula C17H29IN4O2 and a molecular weight of 448.35 g/mol. Its IUPAC name is N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111739149
Molecular FormulaC17H29IN4O2
Molecular Weight448.35 g/mol
Exact Mass448.13
IUPAC NameN-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cccnc1OCCOC)N1CCC(C)(C)C1.I
InChIInChI=1S/C17H28N4O2.HI/c1-17(2)7-9-21(13-17)16(18-3)20-12-14-6-5-8-19-15(14)23-11-10-22-4;/h5-6,8H,7,9-13H2,1-4H3,(H,18,20);1H
InChIKeyHISOCHAQMJSRCY-UHFFFAOYSA-N
XLogP2.53
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442956
4-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111177707
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111723511
4-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methylpiperazine-1-carboximidamide
CID 111177708
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741909
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727137
ethyl 4-[N'-methyl-N-[(2-propoxy-3-pyridinyl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163672
N-[(2,3-dimethoxyphenyl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111738665
1-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111180252
1-[(1-ethylcyclobutyl)methyl]-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 109469674
N'-methyl-N-[(2-propoxy-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221474
N',2,2-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
CID 109488885

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide (CID 111739149) is N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1cccnc1OCCOC)N1CCC(C)(C)C1.I.
What is the InChIKey of N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is HISOCHAQMJSRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.HI/c1-17(2)7-9-21(13-17)16(18-3)20-12-14-6-5-8-19-15(14)23-11-10-22-4;/h5-6,8H,7,9-13H2,1-4H3,(H,18,20);1H.
What are the key properties of N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide?
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 448.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111739149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).