3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide

C11H22F3N3O2 — CID 103369853

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide
SMILESCC(C)CCOCCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H22F3N3O2/c1-8(2)3-5-19-6-4-16-7-9(10(15)17-18)11(12,13)14/h8-9,16,18H,3-7H2,1-2H3,(H2,15,17)
InChIKeyREVQTECAXDHHPE-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.56
Rot. Bonds9

About 3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide (PubChem CID 103369853) has the molecular formula C11H22F3N3O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide
PubChem CID103369853
Molecular FormulaC11H22F3N3O2
Molecular Weight285.31 g/mol
Exact Mass285.17
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide
SMILESCC(C)CCOCCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H22F3N3O2/c1-8(2)3-5-19-6-4-16-7-9(10(15)17-18)11(12,13)14/h8-9,16,18H,3-7H2,1-2H3,(H2,15,17)
InChIKeyREVQTECAXDHHPE-UHFFFAOYSA-N
XLogP1.56
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[2-(3-methylbutoxy)ethylamino]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'-hydroxypropanimidamide
CID 54992458
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
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
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 76205073
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76210947
N'-hydroxy-3-[2-methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76917229
3-[2,2-difluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 76993822
N'-hydroxy-3-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76993945

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide (CID 103369853) is 3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide is CC(C)CCOCCNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide?
The InChIKey is REVQTECAXDHHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2/c1-8(2)3-5-19-6-4-16-7-9(10(15)17-18)11(12,13)14/h8-9,16,18H,3-7H2,1-2H3,(H2,15,17).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide has a molecular weight of 285.31 g/mol, XLogP of 1.56, 9 rotatable bonds, 3 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-(3-methylbutoxy)ethylamino]methyl]propanimidamide is sourced from PubChem (CID 103369853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).