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

C12H24F3N3O — CID 107480302

IUPAC6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C12H24F3N3O/c1-11(2,10(16)17)5-3-4-6-18(7-8-19)9-12(13,14)15/h19H,3-9H2,1-2H3,(H3,16,17)
InChIKeyJIKOUMPWUUBQKW-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.98
Rot. Bonds9

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

6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide (PubChem CID 107480302) has the molecular formula C12H24F3N3O and a molecular weight of 283.34 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide
PubChem CID107480302
Molecular FormulaC12H24F3N3O
Molecular Weight283.34 g/mol
Exact Mass283.19
IUPAC Name6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C12H24F3N3O/c1-11(2,10(16)17)5-3-4-6-18(7-8-19)9-12(13,14)15/h19H,3-9H2,1-2H3,(H3,16,17)
InChIKeyJIKOUMPWUUBQKW-UHFFFAOYSA-N
XLogP1.98
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[(6-Amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478916
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
N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide
CID 107480163
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
2-[1-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 107480282
5-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
CID 107480309
2-[(6-Amino-5,5-dimethylhexyl)-(2,2-difluoroethyl)amino]ethanol
CID 113964207
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 113964376
N'-hydroxy-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide
CID 113964377
6-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide
CID 113964399

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide (CID 107480302) is 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCN(CCO)CC(F)(F)F.
What is the InChIKey of 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide?
The InChIKey is JIKOUMPWUUBQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O/c1-11(2,10(16)17)5-3-4-6-18(7-8-19)9-12(13,14)15/h19H,3-9H2,1-2H3,(H3,16,17).
What are the key properties of 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide?
6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide has a molecular weight of 283.34 g/mol, XLogP of 1.98, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 107480302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).