2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C10H20F3N3O2 — CID 103369965

IUPAC2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN(CC(C(N)=NO)C(F)(F)F)CC(C)(C)O
InChIInChI=1S/C10H20F3N3O2/c1-4-16(6-9(2,3)17)5-7(8(14)15-18)10(11,12)13/h7,17-18H,4-6H2,1-3H3,(H2,14,15)
InChIKeyUOKKNRDQZHMAPY-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.00
Rot. Bonds6

About 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369965) has the molecular formula C10H20F3N3O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369965
Molecular FormulaC10H20F3N3O2
Molecular Weight271.28 g/mol
Exact Mass271.15
IUPAC Name2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN(CC(C(N)=NO)C(F)(F)F)CC(C)(C)O
InChIInChI=1S/C10H20F3N3O2/c1-4-16(6-9(2,3)17)5-7(8(14)15-18)10(11,12)13/h7,17-18H,4-6H2,1-3H3,(H2,14,15)
InChIKeyUOKKNRDQZHMAPY-UHFFFAOYSA-N
XLogP1.00
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
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

3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204705
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76204946
N'-hydroxy-3-[2-methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76917229
3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77100271
N'-hydroxy-2-methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100273
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103369277
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369278
2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369300
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103369303

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369965) is 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCN(CC(C(N)=NO)C(F)(F)F)CC(C)(C)O.
What is the InChIKey of 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is UOKKNRDQZHMAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2/c1-4-16(6-9(2,3)17)5-7(8(14)15-18)10(11,12)13/h7,17-18H,4-6H2,1-3H3,(H2,14,15).
What are the key properties of 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 271.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).