N'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide

C6H13N3O2 — CID 127006782

IUPACN'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide
SMILESCOC1(C)CN(/C(N)=N/O)C1
InChIInChI=1S/C6H13N3O2/c1-6(11-2)3-9(4-6)5(7)8-10/h10H,3-4H2,1-2H3,(H2,7,8)
InChIKeyFTRVDQOSYMNKGJ-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.59
Rot. Bonds1

About N'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide

N'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide (PubChem CID 127006782) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide
PubChem CID127006782
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide
SMILESCOC1(C)CN(/C(N)=N/O)C1
InChIInChI=1S/C6H13N3O2/c1-6(11-2)3-9(4-6)5(7)8-10/h10H,3-4H2,1-2H3,(H2,7,8)
InChIKeyFTRVDQOSYMNKGJ-UHFFFAOYSA-N
XLogP-0.59
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N',3-dimethylpiperidine-1-carboximidamide
CID 107393147
N'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide
CID 77016547
N'-ethyl-3-methoxy-3-methylpiperidine-1-carboximidamide
CID 107393146
2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide
CID 131091735
3-methoxy-3-methyl-N'-propylpiperidine-1-carboximidamide
CID 107393142
3-methoxy-3-methyl-1-methylsulfanylazetidine
CID 166960473
tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249
N'-hydroxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanimidamide
CID 107392867
N'-hydroxy-4-methylpiperazine-1-carboximidamide
CID 62482673
N'-hydroxy-2-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide
CID 107392874
2-(3-methoxy-3-methylazetidin-1-yl)ethanamine
CID 131066703
N'-hydroxy-4-(methoxymethoxy)piperidine-1-carboximidamide
CID 58057767

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide (CID 127006782) is N'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide is COC1(C)CN(/C(N)=N/O)C1.
What is the InChIKey of N'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide?
The InChIKey is FTRVDQOSYMNKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-6(11-2)3-9(4-6)5(7)8-10/h10H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of N'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide?
N'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide has a molecular weight of 159.19 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide is sourced from PubChem (CID 127006782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).