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

C10H20F3N3O — CID 103369263

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]propanimidamide
SMILESCC(C)C(C)N(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-6(2)7(3)16(4)5-8(9(14)15-17)10(11,12)13/h6-8,17H,5H2,1-4H3,(H2,14,15)
InChIKeyRZKJVHMRXPPQOG-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.89
Rot. Bonds5

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

3,3,3-trifluoro-N'-hydroxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]propanimidamide (PubChem CID 103369263) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]propanimidamide
PubChem CID103369263
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]propanimidamide
SMILESCC(C)C(C)N(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-6(2)7(3)16(4)5-8(9(14)15-17)10(11,12)13/h6-8,17H,5H2,1-4H3,(H2,14,15)
InChIKeyRZKJVHMRXPPQOG-UHFFFAOYSA-N
XLogP1.89
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.89
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(3-methylbutan-2-yl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]propanimidamide (CID 103369263) is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]propanimidamide is CC(C)C(C)N(C)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]propanimidamide?
The InChIKey is RZKJVHMRXPPQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-6(2)7(3)16(4)5-8(9(14)15-17)10(11,12)13/h6-8,17H,5H2,1-4H3,(H2,14,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]propanimidamide has a molecular weight of 255.28 g/mol, XLogP of 1.89, 5 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(3-methylbutan-2-yl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).