N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide

C12H24F3N3O2 — CID 107480163

IUPACN'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCN(CCO)CC(F)(F)F)C(N)=NO
InChIInChI=1S/C12H24F3N3O2/c1-11(2,10(16)17-20)5-3-4-6-18(7-8-19)9-12(13,14)15/h19-20H,3-9H2,1-2H3,(H2,16,17)
InChIKeyGPGFQWYGPDSLKO-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.79
Rot. Bonds9

About N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide

N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide (PubChem CID 107480163) has the molecular formula C12H24F3N3O2 and a molecular weight of 299.34 g/mol. Its IUPAC name is N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide
PubChem CID107480163
Molecular FormulaC12H24F3N3O2
Molecular Weight299.34 g/mol
Exact Mass299.18
IUPAC NameN'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCN(CCO)CC(F)(F)F)C(N)=NO
InChIInChI=1S/C12H24F3N3O2/c1-11(2,10(16)17-20)5-3-4-6-18(7-8-19)9-12(13,14)15/h19-20H,3-9H2,1-2H3,(H2,16,17)
InChIKeyGPGFQWYGPDSLKO-UHFFFAOYSA-N
XLogP1.79
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.79
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-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
6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106177189
N'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide
CID 106711163
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 107480135
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107480139
2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 107480146
N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 107480172
N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
CID 107480179
4-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide
CID 107480278

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide (CID 107480163) is N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide is CC(C)(CCCCN(CCO)CC(F)(F)F)C(N)=NO.
What is the InChIKey of N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide?
The InChIKey is GPGFQWYGPDSLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O2/c1-11(2,10(16)17-20)5-3-4-6-18(7-8-19)9-12(13,14)15/h19-20H,3-9H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide?
N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide has a molecular weight of 299.34 g/mol, XLogP of 1.79, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 107480163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).