N'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide

C12H24F3N3O2 — CID 106711163

IUPACN'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide
SMILESCC(C)(CCCCNCCOCC(F)(F)F)C(N)=NO
InChIInChI=1S/C12H24F3N3O2/c1-11(2,10(16)18-19)5-3-4-6-17-7-8-20-9-12(13,14)15/h17,19H,3-9H2,1-2H3,(H2,16,18)
InChIKeyYCFFDVQMEXDXMZ-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.10
Rot. Bonds10

About N'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide

N'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide (PubChem CID 106711163) has the molecular formula C12H24F3N3O2 and a molecular weight of 299.34 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide
PubChem CID106711163
Molecular FormulaC12H24F3N3O2
Molecular Weight299.34 g/mol
Exact Mass299.18
IUPAC NameN'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide
SMILESCC(C)(CCCCNCCOCC(F)(F)F)C(N)=NO
InChIInChI=1S/C12H24F3N3O2/c1-11(2,10(16)18-19)5-3-4-6-17-7-8-20-9-12(13,14)15/h17,19H,3-9H2,1-2H3,(H2,16,18)
InChIKeyYCFFDVQMEXDXMZ-UHFFFAOYSA-N
XLogP2.10
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.10
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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Related Compounds

N'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide
CID 77028924
N'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide
CID 77062181
N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide
CID 77063521
N'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070558
N'-hydroxy-2,2-dimethyl-6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]hexanimidamide
CID 105646655
N'-hydroxy-2,2-dimethyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanimidamide
CID 105646684
5-[(3,3-difluoro-2-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 105646723
6-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 105913725
4-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 105913747
5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxypentanimidamide
CID 105913751
6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106177189
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 107480135

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide (CID 106711163) is N'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide is CC(C)(CCCCNCCOCC(F)(F)F)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide?
The InChIKey is YCFFDVQMEXDXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O2/c1-11(2,10(16)18-19)5-3-4-6-17-7-8-20-9-12(13,14)15/h17,19H,3-9H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide has a molecular weight of 299.34 g/mol, XLogP of 2.10, 10 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-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide is sourced from PubChem (CID 106711163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).