N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide

C17H29IN4O — CID 109454385

IUPACN-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1cccnc1OC)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C17H28N4O.HI/c1-7-18-15(21-12-16(2,3)17(21,4)5)20-11-13-9-8-10-19-14(13)22-6;/h8-10H,7,11-12H2,1-6H3,(H,18,20);1H
InChIKeyWVISKZRQWAQYMI-UHFFFAOYSA-N
MW432.35 g/mol
LogP3.29
Rot. Bonds4

About N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide (PubChem CID 109454385) has the molecular formula C17H29IN4O and a molecular weight of 432.35 g/mol. Its IUPAC name is N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
PubChem CID109454385
Molecular FormulaC17H29IN4O
Molecular Weight432.35 g/mol
Exact Mass432.14
IUPAC NameN-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1cccnc1OC)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C17H28N4O.HI/c1-7-18-15(21-12-16(2,3)17(21,4)5)20-11-13-9-8-10-19-14(13)22-6;/h8-10H,7,11-12H2,1-6H3,(H,18,20);1H
InChIKeyWVISKZRQWAQYMI-UHFFFAOYSA-N
XLogP3.29
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 53.29
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'-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109452790
N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide
CID 111154003
N-ethyl-N'-[(2-hydroxy-5-methoxyphenyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109453455
N-ethyl-2,2,3,3-tetramethyl-N'-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
CID 109453208
3-benzyl-N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111725118
1-(cyclopropylmethyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111870756
N'-[(1-benzylimidazol-2-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109453102
N-ethyl-2,2,3,3-tetramethyl-N'-[(3-nitrophenyl)methyl]azetidine-1-carboximidamide
CID 109452391
N-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453533
4-acetyl-N'-[(2-ethoxy-3-pyridinyl)methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110962304
N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111527064
1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111151098

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide (CID 109454385) is N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1cccnc1OC)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The InChIKey is WVISKZRQWAQYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.HI/c1-7-18-15(21-12-16(2,3)17(21,4)5)20-11-13-9-8-10-19-14(13)22-6;/h8-10H,7,11-12H2,1-6H3,(H,18,20);1H.
What are the key properties of N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide has a molecular weight of 432.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109454385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).