N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide

C10H20F3N3O — CID 77063985

IUPACN'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILESCN(CCCC(C)(C)C(N)=NO)CC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-9(2,8(14)15-17)5-4-6-16(3)7-10(11,12)13/h17H,4-7H2,1-3H3,(H2,14,15)
InChIKeyVFVJKOGFBQWIGP-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.03
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide

N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide (PubChem CID 77063985) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
PubChem CID77063985
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILESCN(CCCC(C)(C)C(N)=NO)CC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-9(2,8(14)15-17)5-4-6-16(3)7-10(11,12)13/h17H,4-7H2,1-3H3,(H2,14,15)
InChIKeyVFVJKOGFBQWIGP-UHFFFAOYSA-N
XLogP2.03
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide (CID 77063985) is N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide is CN(CCCC(C)(C)C(N)=NO)CC(F)(F)F.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The InChIKey is VFVJKOGFBQWIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-9(2,8(14)15-17)5-4-6-16(3)7-10(11,12)13/h17H,4-7H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide has a molecular weight of 255.28 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide is sourced from PubChem (CID 77063985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).