N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide

C9H19N3O2 — CID 81213883

IUPACN'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide
SMILESCC/N=C(\N)N1CC(CO)OCC1C
InChIInChI=1S/C9H19N3O2/c1-3-11-9(10)12-4-8(5-13)14-6-7(12)2/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyKPJUYVRKNLMSTD-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.60
Rot. Bonds2

About N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide

N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide (PubChem CID 81213883) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide
PubChem CID81213883
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide
SMILESCC/N=C(\N)N1CC(CO)OCC1C
InChIInChI=1S/C9H19N3O2/c1-3-11-9(10)12-4-8(5-13)14-6-7(12)2/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyKPJUYVRKNLMSTD-UHFFFAOYSA-N
XLogP-0.60
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.60
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'}

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Related Compounds

2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide
CID 81204075
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
(4-ethanimidoyl-5-methylmorpholin-2-yl)methanol
CID 81212956
N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pentanimidamide
CID 81208282
(2S)-2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 107146080
2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one
CID 81203652
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81208152
[(2S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290710
[(2S,5R)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290635
[(2R,5S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155291691
N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide
CID 104887655

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide (CID 81213883) is N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide is CC/N=C(\N)N1CC(CO)OCC1C.
What is the InChIKey of N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide?
The InChIKey is KPJUYVRKNLMSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-3-11-9(10)12-4-8(5-13)14-6-7(12)2/h7-8,13H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide?
N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide has a molecular weight of 201.27 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 81213883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).