2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C11H20F3N3O2 — CID 103369310

IUPAC2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN(CC1CCCO1)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-2-17(6-8-4-3-5-19-8)7-9(10(15)16-18)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16)
InChIKeyJIXVECQZXYUEJE-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.41
Rot. Bonds6

About 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369310) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369310
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN(CC1CCCO1)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-2-17(6-8-4-3-5-19-8)7-9(10(15)16-18)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16)
InChIKeyJIXVECQZXYUEJE-UHFFFAOYSA-N
XLogP1.41
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide
CID 103369307
3,3,3-trifluoro-N'-hydroxy-2-[(3-propoxypiperidin-1-yl)methyl]propanimidamide
CID 103369337
2-[(3-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369338
3,3,3-trifluoro-N'-hydroxy-2-[(oxolan-2-ylmethylamino)methyl]propanimidamide
CID 103369555
3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide
CID 103369636
2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369719
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanimidamide
CID 103369985
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanimidamide
CID 103370015
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methyloxolan-3-yl)amino]methyl]propanimidamide
CID 103370088
3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide
CID 103370089
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide
CID 103370259
2-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370634

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369310) is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCN(CC1CCCO1)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is JIXVECQZXYUEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-2-17(6-8-4-3-5-19-8)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 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 283.29 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).