N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide

C10H20F3N3O — CID 55011288

IUPACN'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H20F3N3O/c1-4-8(5-9(14)15-17)16(7(2)3)6-10(11,12)13/h7-8,17H,4-6H2,1-3H3,(H2,14,15)
InChIKeyFLTYOQHAOYEZKM-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.17
Rot. Bonds6

About N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide

N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide (PubChem CID 55011288) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
PubChem CID55011288
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC NameN'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H20F3N3O/c1-4-8(5-9(14)15-17)16(7(2)3)6-10(11,12)13/h7-8,17H,4-6H2,1-3H3,(H2,14,15)
InChIKeyFLTYOQHAOYEZKM-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide (CID 55011288) is N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide is CCC(C/C(N)=N/O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The InChIKey is FLTYOQHAOYEZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-4-8(5-9(14)15-17)16(7(2)3)6-10(11,12)13/h7-8,17H,4-6H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide?
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide has a molecular weight of 255.28 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide is sourced from PubChem (CID 55011288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).