N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide

C11H21N3O3 — CID 76926390

IUPACN'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide
SMILESCC(C)C(C(=O)N1CCOCC1C)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-7(2)9(10(12)13-16)11(15)14-4-5-17-6-8(14)3/h7-9,16H,4-6H2,1-3H3,(H2,12,13)
InChIKeyYERXEBCYKPQTFZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.25
Rot. Bonds3

About N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide

N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide (PubChem CID 76926390) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide
PubChem CID76926390
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide
SMILESCC(C)C(C(=O)N1CCOCC1C)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-7(2)9(10(12)13-16)11(15)14-4-5-17-6-8(14)3/h7-9,16H,4-6H2,1-3H3,(H2,12,13)
InChIKeyYERXEBCYKPQTFZ-UHFFFAOYSA-N
XLogP0.25
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.25
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

(2R)-2-amino-3-methyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111667
(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one
CID 103928483
N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide
CID 104877501
2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one
CID 115588328
2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one
CID 106774404
N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide
CID 43542531
N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-methylbutanimidamide
CID 102784278
2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76924673
2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774483
4-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103841
3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774586
N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide
CID 43542176

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide (CID 76926390) is N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide is CC(C)C(C(=O)N1CCOCC1C)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide?
The InChIKey is YERXEBCYKPQTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(2)9(10(12)13-16)11(15)14-4-5-17-6-8(14)3/h7-9,16H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide?
N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide has a molecular weight of 243.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide is sourced from PubChem (CID 76926390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).