3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide

C12H24F3N3O2 — CID 103369354

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide
SMILESCCC(CC)N(CCOC)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C12H24F3N3O2/c1-4-9(5-2)18(6-7-20-3)8-10(11(16)17-19)12(13,14)15/h9-10,19H,4-8H2,1-3H3,(H2,16,17)
InChIKeyQJNSFBXMZCXJCH-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.05
Rot. Bonds9

About 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide (PubChem CID 103369354) has the molecular formula C12H24F3N3O2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide
PubChem CID103369354
Molecular FormulaC12H24F3N3O2
Molecular Weight299.34 g/mol
Exact Mass299.18
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide
SMILESCCC(CC)N(CCOC)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C12H24F3N3O2/c1-4-9(5-2)18(6-7-20-3)8-10(11(16)17-19)12(13,14)15/h9-10,19H,4-8H2,1-3H3,(H2,16,17)
InChIKeyQJNSFBXMZCXJCH-UHFFFAOYSA-N
XLogP2.05
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.05
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-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987484
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
N'-hydroxy-2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54991982
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54992458
3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54997582
N'-hydroxy-3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54997863
N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54997958
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55171522
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490536
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63223935
3-[Ethyl-[2-(trifluoromethoxy)ethyl]amino]-2-methylpropanimidamide
CID 65803464

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide (CID 103369354) is 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide is CCC(CC)N(CCOC)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide?
The InChIKey is QJNSFBXMZCXJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O2/c1-4-9(5-2)18(6-7-20-3)8-10(11(16)17-19)12(13,14)15/h9-10,19H,4-8H2,1-3H3,(H2,16,17).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide has a molecular weight of 299.34 g/mol, XLogP of 2.05, 9 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-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).