3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide

C11H20F3N3O2 — CID 103369307

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide
SMILESCN(CC1CCCCO1)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-17(6-8-4-2-3-5-19-8)7-9(10(15)16-18)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16)
InChIKeyZTUJHLSSJBIKRV-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.41
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide (PubChem CID 103369307) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide
PubChem CID103369307
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide
SMILESCN(CC1CCCCO1)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-17(6-8-4-2-3-5-19-8)7-9(10(15)16-18)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16)
InChIKeyZTUJHLSSJBIKRV-UHFFFAOYSA-N
XLogP1.41
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid
CID 80997298
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369963
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylpropyl)amino]methyl]propanimidamide
CID 103369251
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 76915828
1-cyclopentyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745209
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 61431541
1-cyclohexyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745207
2-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369990
N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide
CID 77057994
N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 61431684
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide (CID 103369307) is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide is CN(CC1CCCCO1)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide?
The InChIKey is ZTUJHLSSJBIKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-17(6-8-4-2-3-5-19-8)7-9(10(15)16-18)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide has a molecular weight of 283.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).