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

C10H20F3N3O — CID 103369443

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanimidamide
SMILESCCC(C)(C)N(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-5-9(2,3)16(4)6-7(8(14)15-17)10(11,12)13/h7,17H,5-6H2,1-4H3,(H2,14,15)
InChIKeyQYYRVJHTACZPPQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.03
Rot. Bonds5

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

3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanimidamide (PubChem CID 103369443) 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(2-methylbutan-2-yl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanimidamide
PubChem CID103369443
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanimidamide
SMILESCCC(C)(C)N(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-5-9(2,3)16(4)6-7(8(14)15-17)10(11,12)13/h7,17H,5-6H2,1-4H3,(H2,14,15)
InChIKeyQYYRVJHTACZPPQ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylpropyl)amino]methyl]propanimidamide
CID 103369251
3,3,3-trifluoro-N'-hydroxy-2-(2-methylbutan-2-yloxymethyl)propanimidamide
CID 103370388
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylbutan-2-ylamino)methyl]propanimidamide
CID 103369473
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide
CID 103370112
2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369356
3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(4-methylcyclohexyl)amino]methyl]propanimidamide
CID 103369311
2-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369990
2-[[cyclohexyl(ethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369223
3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide
CID 103369340
2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369820
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369963
N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide
CID 77014154

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanimidamide (CID 103369443) is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanimidamide is CCC(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(2-methylbutan-2-yl)amino]methyl]propanimidamide?
The InChIKey is QYYRVJHTACZPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-5-9(2,3)16(4)6-7(8(14)15-17)10(11,12)13/h7,17H,5-6H2,1-4H3,(H2,14,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanimidamide has a molecular weight of 255.28 g/mol, XLogP of 2.03, 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(2-methylbutan-2-yl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).