1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide

C13H23N3O3 — CID 80596781

IUPAC1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
SMILESCC1CC(C(=O)N2CCOCC2(C)C)(C(N)=NO)C1
InChIInChI=1S/C13H23N3O3/c1-9-6-13(7-9,10(14)15-18)11(17)16-4-5-19-8-12(16,2)3/h9,18H,4-8H2,1-3H3,(H2,14,15)
InChIKeyIEDHUHPQWKWUOI-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.79
Rot. Bonds2

About 1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide

1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide (PubChem CID 80596781) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
PubChem CID80596781
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
SMILESCC1CC(C(=O)N2CCOCC2(C)C)(C(N)=NO)C1
InChIInChI=1S/C13H23N3O3/c1-9-6-13(7-9,10(14)15-18)11(17)16-4-5-19-8-12(16,2)3/h9,18H,4-8H2,1-3H3,(H2,14,15)
InChIKeyIEDHUHPQWKWUOI-UHFFFAOYSA-N
XLogP0.79
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide
CID 76921023
1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
CID 80594059
1-(2,6-dimethylthiomorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
CID 80594372
(3,3-dimethylmorpholin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 116654559
1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
CID 80594073
N'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 104939794
1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 80590609
1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
CID 80594285
(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 78973108
N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide
CID 80590834
N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide
CID 76920695
1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55230340

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide?
The IUPAC name of 1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide (CID 80596781) is 1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide.
What is the SMILES notation for 1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide?
The canonical SMILES for 1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide is CC1CC(C(=O)N2CCOCC2(C)C)(C(N)=NO)C1.
What is the InChIKey of 1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide?
The InChIKey is IEDHUHPQWKWUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9-6-13(7-9,10(14)15-18)11(17)16-4-5-19-8-12(16,2)3/h9,18H,4-8H2,1-3H3,(H2,14,15).
What are the key properties of 1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide?
1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide has a molecular weight of 269.34 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide is sourced from PubChem (CID 80596781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).