4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide

C11H23N3O2 — CID 82926320

IUPAC4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide
SMILESCCC(CC)CN1CCOC(C(N)=NO)C1
InChIInChI=1S/C11H23N3O2/c1-3-9(4-2)7-14-5-6-16-10(8-14)11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyMLSXNCRONWFCIJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.87
Rot. Bonds5

About 4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide

4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide (PubChem CID 82926320) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide
PubChem CID82926320
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide
SMILESCCC(CC)CN1CCOC(C(N)=NO)C1
InChIInChI=1S/C11H23N3O2/c1-3-9(4-2)7-14-5-6-16-10(8-14)11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyMLSXNCRONWFCIJ-UHFFFAOYSA-N
XLogP0.87
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.87
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

N'-hydroxy-4-(4-methylpentyl)morpholine-2-carboximidamide
CID 83158543
[4-(2-ethylbutyl)morpholin-2-yl]methanamine
CID 82924060
4-(2-cyclopropylethyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79680425
N'-hydroxy-4-propanoylmorpholine-2-carboximidamide
CID 79680714
N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide
CID 79681146
N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide
CID 106725380
(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide
CID 97045084
(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 51530238
2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 82926646
4-butanoyl-N'-hydroxymorpholine-2-carboximidamide
CID 79680443
N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide
CID 79670529
4-[(4-bromothiophen-2-yl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 79680504

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide?
The IUPAC name of 4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide (CID 82926320) is 4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide.
What is the SMILES notation for 4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide?
The canonical SMILES for 4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide is CCC(CC)CN1CCOC(C(N)=NO)C1.
What is the InChIKey of 4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide?
The InChIKey is MLSXNCRONWFCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-9(4-2)7-14-5-6-16-10(8-14)11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide?
4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide has a molecular weight of 229.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide is sourced from PubChem (CID 82926320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).