4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide

C13H25N3O2 — CID 79680508

IUPAC4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide
SMILESCCC1CCCC(N2CCOC(C(N)=NO)C2)C1
InChIInChI=1S/C13H25N3O2/c1-2-10-4-3-5-11(8-10)16-6-7-18-12(9-16)13(14)15-17/h10-12,17H,2-9H2,1H3,(H2,14,15)
InChIKeyHDTIEEBPSOMMFD-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.40
Rot. Bonds3

About 4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide

4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide (PubChem CID 79680508) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide
PubChem CID79680508
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide
SMILESCCC1CCCC(N2CCOC(C(N)=NO)C2)C1
InChIInChI=1S/C13H25N3O2/c1-2-10-4-3-5-11(8-10)16-6-7-18-12(9-16)13(14)15-17/h10-12,17H,2-9H2,1H3,(H2,14,15)
InChIKeyHDTIEEBPSOMMFD-UHFFFAOYSA-N
XLogP1.40
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.40
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

CID 75356284
CID 75356284
3-[(2-ethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 77008767
N'-hydroxy-3-[2-methoxyethyl-(3-methylcyclohexyl)amino]propanimidamide
CID 77023065
3-[(3-ethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 77023067
N'-hydroxy-1-(2-propan-2-yloxyethyl)piperidine-3-carboximidamide
CID 77041838
N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-3-carboximidamide
CID 77043491
N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide
CID 77043492
3-[(3,5-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 77054302
3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 77054359
N'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide
CID 77054577
3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 77054578
4-(3-Methylcyclohexyl)morpholine-2-carboximidamide
CID 79675493

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide?
The IUPAC name of 4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide (CID 79680508) is 4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide.
What is the SMILES notation for 4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide?
The canonical SMILES for 4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide is CCC1CCCC(N2CCOC(C(N)=NO)C2)C1.
What is the InChIKey of 4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide?
The InChIKey is HDTIEEBPSOMMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-10-4-3-5-11(8-10)16-6-7-18-12(9-16)13(14)15-17/h10-12,17H,2-9H2,1H3,(H2,14,15).
What are the key properties of 4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide?
4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide has a molecular weight of 255.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide is sourced from PubChem (CID 79680508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).