3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide

C11H22F3N3O — CID 103369346

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide
SMILESCC(C)CC(C)N(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H22F3N3O/c1-7(2)5-8(3)17(4)6-9(10(15)16-18)11(12,13)14/h7-9,18H,5-6H2,1-4H3,(H2,15,16)
InChIKeyWMDJNWSXWSBCMO-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.28
Rot. Bonds6

About 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide (PubChem CID 103369346) has the molecular formula C11H22F3N3O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide
PubChem CID103369346
Molecular FormulaC11H22F3N3O
Molecular Weight269.31 g/mol
Exact Mass269.17
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide
SMILESCC(C)CC(C)N(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H22F3N3O/c1-7(2)5-8(3)17(4)6-9(10(15)16-18)11(12,13)14/h7-9,18H,5-6H2,1-4H3,(H2,15,16)
InChIKeyWMDJNWSXWSBCMO-UHFFFAOYSA-N
XLogP2.28
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.28
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'}, {'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 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide (CID 103369346) is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide is CC(C)CC(C)N(C)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide?
The InChIKey is WMDJNWSXWSBCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O/c1-7(2)5-8(3)17(4)6-9(10(15)16-18)11(12,13)14/h7-9,18H,5-6H2,1-4H3,(H2,15,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide has a molecular weight of 269.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).