N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide

C9H19N3O2 — CID 43542176

IUPACN'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide
SMILESCC(CN1CCOCC1C)/C(N)=N/O
InChIInChI=1S/C9H19N3O2/c1-7(9(10)11-13)5-12-3-4-14-6-8(12)2/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyHCOTVQAJFWBFIE-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.09
Rot. Bonds3

About N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide

N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide (PubChem CID 43542176) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide
PubChem CID43542176
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide
SMILESCC(CN1CCOCC1C)/C(N)=N/O
InChIInChI=1S/C9H19N3O2/c1-7(9(10)11-13)5-12-3-4-14-6-8(12)2/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyHCOTVQAJFWBFIE-UHFFFAOYSA-N
XLogP0.09
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.09
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)-1-(3-methylmorpholin-4-yl)butan-2-amine
CID 130522087
3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide
CID 61424242
N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide
CID 76926390
4-(2-fluorobutyl)-3-methylmorpholine
CID 131089000
N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide
CID 106710735
ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate
CID 82775567
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide
CID 43367727
1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol
CID 115474924
N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide
CID 43542531
3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 76928062

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide (CID 43542176) is N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide is CC(CN1CCOCC1C)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide?
The InChIKey is HCOTVQAJFWBFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(9(10)11-13)5-12-3-4-14-6-8(12)2/h7-8,13H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide?
N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide is sourced from PubChem (CID 43542176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).