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

C8H16F3N3O — CID 60890993

IUPACN'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-3-6(4-7(12)13-15)14(2)5-8(9,10)11/h6,15H,3-5H2,1-2H3,(H2,12,13)
InChIKeyVPGTVMPXEOCZDB-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.40
Rot. Bonds5

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

N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide (PubChem CID 60890993) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
PubChem CID60890993
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC NameN'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-3-6(4-7(12)13-15)14(2)5-8(9,10)11/h6,15H,3-5H2,1-2H3,(H2,12,13)
InChIKeyVPGTVMPXEOCZDB-UHFFFAOYSA-N
XLogP1.40
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.40
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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Related Compounds

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 55011238
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 55011239
N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 55011240
N'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 55011287
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 55011288
N'-hydroxy-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 55011289
3-[Methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 60891754
N'-hydroxy-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 61524362
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 61604478
3-[Ethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 61604556
3-[Ethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 61604557
3-[Propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 61604559

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide (CID 60890993) is N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide is CCC(C/C(N)=N/O)N(C)CC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The InChIKey is VPGTVMPXEOCZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-3-6(4-7(12)13-15)14(2)5-8(9,10)11/h6,15H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide has a molecular weight of 227.23 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide is sourced from PubChem (CID 60890993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).