N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide

C11H22F3N3O2 — CID 77063521

IUPACN'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide
SMILESCC(C)(CCCNCCOCC(F)(F)F)C(N)=NO
InChIInChI=1S/C11H22F3N3O2/c1-10(2,9(15)17-18)4-3-5-16-6-7-19-8-11(12,13)14/h16,18H,3-8H2,1-2H3,(H2,15,17)
InChIKeyOQHNRASMVCQIFG-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.71
Rot. Bonds9

About N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide

N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide (PubChem CID 77063521) has the molecular formula C11H22F3N3O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide
PubChem CID77063521
Molecular FormulaC11H22F3N3O2
Molecular Weight285.31 g/mol
Exact Mass285.17
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide
SMILESCC(C)(CCCNCCOCC(F)(F)F)C(N)=NO
InChIInChI=1S/C11H22F3N3O2/c1-10(2,9(15)17-18)4-3-5-16-6-7-19-8-11(12,13)14/h16,18H,3-8H2,1-2H3,(H2,15,17)
InChIKeyOQHNRASMVCQIFG-UHFFFAOYSA-N
XLogP1.71
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.71
H-Bond Donors ≤ 53
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 N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide (CID 77063521) is N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide is CC(C)(CCCNCCOCC(F)(F)F)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide?
The InChIKey is OQHNRASMVCQIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2/c1-10(2,9(15)17-18)4-3-5-16-6-7-19-8-11(12,13)14/h16,18H,3-8H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide has a molecular weight of 285.31 g/mol, XLogP of 1.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide is sourced from PubChem (CID 77063521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).