2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide

C15H29N3O3 — CID 76925281

IUPAC2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide
SMILESCCCC(CCC)(C(=O)N1CC(C)OC(C)C1)C(N)=NO
InChIInChI=1S/C15H29N3O3/c1-5-7-15(8-6-2,13(16)17-20)14(19)18-9-11(3)21-12(4)10-18/h11-12,20H,5-10H2,1-4H3,(H2,16,17)
InChIKeyMLSRCGLGPVKCNM-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.96
Rot. Bonds6

About 2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide

2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide (PubChem CID 76925281) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide
PubChem CID76925281
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide
SMILESCCCC(CCC)(C(=O)N1CC(C)OC(C)C1)C(N)=NO
InChIInChI=1S/C15H29N3O3/c1-5-7-15(8-6-2,13(16)17-20)14(19)18-9-11(3)21-12(4)10-18/h11-12,20H,5-10H2,1-4H3,(H2,16,17)
InChIKeyMLSRCGLGPVKCNM-UHFFFAOYSA-N
XLogP1.96
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide?
The IUPAC name of 2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide (CID 76925281) is 2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide?
The canonical SMILES for 2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide is CCCC(CCC)(C(=O)N1CC(C)OC(C)C1)C(N)=NO.
What is the InChIKey of 2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide?
The InChIKey is MLSRCGLGPVKCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-5-7-15(8-6-2,13(16)17-20)14(19)18-9-11(3)21-12(4)10-18/h11-12,20H,5-10H2,1-4H3,(H2,16,17).
What are the key properties of 2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide?
2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide has a molecular weight of 299.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide is sourced from PubChem (CID 76925281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).