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

C7H14F3N3O — CID 60890994

IUPACN'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
SMILESCC(CN(C)CC(F)(F)F)/C(N)=N/O
InChIInChI=1S/C7H14F3N3O/c1-5(6(11)12-14)3-13(2)4-7(8,9)10/h5,14H,3-4H2,1-2H3,(H2,11,12)
InChIKeyDKUCCQMVNUAZSS-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.86
Rot. Bonds4

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

N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide (PubChem CID 60890994) has the molecular formula C7H14F3N3O and a molecular weight of 213.20 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
PubChem CID60890994
Molecular FormulaC7H14F3N3O
Molecular Weight213.20 g/mol
Exact Mass213.11
IUPAC NameN'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
SMILESCC(CN(C)CC(F)(F)F)/C(N)=N/O
InChIInChI=1S/C7H14F3N3O/c1-5(6(11)12-14)3-13(2)4-7(8,9)10/h5,14H,3-4H2,1-2H3,(H2,11,12)
InChIKeyDKUCCQMVNUAZSS-UHFFFAOYSA-N
XLogP0.86
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.86
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-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide (CID 60890994) is N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide is CC(CN(C)CC(F)(F)F)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide?
The InChIKey is DKUCCQMVNUAZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O/c1-5(6(11)12-14)3-13(2)4-7(8,9)10/h5,14H,3-4H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide has a molecular weight of 213.20 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide is sourced from PubChem (CID 60890994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).