3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide

C11H22F3N3O2 — CID 54987484

IUPAC3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCCOCC(F)(F)F)CC(C)/C(N)=N/O
InChIInChI=1S/C11H22F3N3O2/c1-3-17(7-9(2)10(15)16-18)5-4-6-19-8-11(12,13)14/h9,18H,3-8H2,1-2H3,(H2,15,16)
InChIKeyVYQPPJYLKFKVIT-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.66
Rot. Bonds9

About 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 54987484) has the molecular formula C11H22F3N3O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID54987484
Molecular FormulaC11H22F3N3O2
Molecular Weight285.31 g/mol
Exact Mass285.17
IUPAC Name3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCCOCC(F)(F)F)CC(C)/C(N)=N/O
InChIInChI=1S/C11H22F3N3O2/c1-3-17(7-9(2)10(15)16-18)5-4-6-19-8-11(12,13)14/h9,18H,3-8H2,1-2H3,(H2,15,16)
InChIKeyVYQPPJYLKFKVIT-UHFFFAOYSA-N
XLogP1.66
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide (CID 54987484) is 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CCCOCC(F)(F)F)CC(C)/C(N)=N/O.
What is the InChIKey of 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is VYQPPJYLKFKVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2/c1-3-17(7-9(2)10(15)16-18)5-4-6-19-8-11(12,13)14/h9,18H,3-8H2,1-2H3,(H2,15,16).
What are the key properties of 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 285.31 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 54987484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).