3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide

C10H19F3N4O2 — CID 103369956

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide
SMILESCN1CCOC(CNCC(C(N)=NO)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N4O2/c1-17-2-3-19-7(6-17)4-15-5-8(9(14)16-18)10(11,12)13/h7-8,15,18H,2-6H2,1H3,(H2,14,16)
InChIKeyGGJNOWFAHDLFTN-UHFFFAOYSA-N
MW284.28 g/mol
LogP-0.17
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide (PubChem CID 103369956) has the molecular formula C10H19F3N4O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide
PubChem CID103369956
Molecular FormulaC10H19F3N4O2
Molecular Weight284.28 g/mol
Exact Mass284.15
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide
SMILESCN1CCOC(CNCC(C(N)=NO)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N4O2/c1-17-2-3-19-7(6-17)4-15-5-8(9(14)16-18)10(11,12)13/h7-8,15,18H,2-6H2,1H3,(H2,14,16)
InChIKeyGGJNOWFAHDLFTN-UHFFFAOYSA-N
XLogP-0.17
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204705
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76204946
N'-hydroxy-3-[2-methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76917229
N'-hydroxy-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
CID 77028730
3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77100271
N'-hydroxy-2-methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100273
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide
CID 79680420
N'-hydroxy-4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide
CID 79680785
N'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide
CID 79680790

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide (CID 103369956) is 3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide is CN1CCOC(CNCC(C(N)=NO)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide?
The InChIKey is GGJNOWFAHDLFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O2/c1-17-2-3-19-7(6-17)4-15-5-8(9(14)16-18)10(11,12)13/h7-8,15,18H,2-6H2,1H3,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide has a molecular weight of 284.28 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylmorpholin-2-yl)methylamino]methyl]propanimidamide is sourced from PubChem (CID 103369956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).