3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide

C9H19N3O — CID 130857557

IUPAC3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide
SMILESCCOC1(C)CN(/C(=N/C)NC)C1
InChIInChI=1S/C9H19N3O/c1-5-13-9(2)6-12(7-9)8(10-3)11-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyDJMRMFXDSXRYLV-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.30
Rot. Bonds2

About 3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide

3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide (PubChem CID 130857557) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide.

Molecular Properties

Compound Name3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide
PubChem CID130857557
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide
SMILESCCOC1(C)CN(/C(=N/C)NC)C1
InChIInChI=1S/C9H19N3O/c1-5-13-9(2)6-12(7-9)8(10-3)11-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyDJMRMFXDSXRYLV-UHFFFAOYSA-N
XLogP0.30
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.30
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'}

Analyze 3-ethoxy-N,N',3-trimethylazetidine-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

N,N'-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744241
2-(3-ethoxy-3-methylazetidin-1-yl)ethanamine
CID 131227820
N-(2-ethoxyethyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111738667
benzyl 3-ethoxy-3-methylazetidine-1-carboxylate
CID 130804628
N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 86768469
N-(3-ethoxypropyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739025
trans-(1S,2S)-2-(3-ethoxy-3-methylazetidin-1-yl)cyclopentan-1-ol
CID 130804579
2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid
CID 106917169
2-[3-methyl-1-(2-methylbutan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102658447
N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111996231
2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659048
N,N'-dimethyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144047

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide?
The IUPAC name of 3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide (CID 130857557) is 3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide.
What is the SMILES notation for 3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide?
The canonical SMILES for 3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide is CCOC1(C)CN(/C(=N/C)NC)C1.
What is the InChIKey of 3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide?
The InChIKey is DJMRMFXDSXRYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-5-13-9(2)6-12(7-9)8(10-3)11-4/h5-7H2,1-4H3,(H,10,11).
What are the key properties of 3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide?
3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide has a molecular weight of 185.27 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N',3-trimethylazetidine-1-carboximidamide is sourced from PubChem (CID 130857557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).