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

C12H22F3N3O — CID 103369352

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide
SMILESCC1CCCCC1N(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C12H22F3N3O/c1-8-5-3-4-6-10(8)18(2)7-9(11(16)17-19)12(13,14)15/h8-10,19H,3-7H2,1-2H3,(H2,16,17)
InChIKeyZNZDPUZWHUHVAX-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.42
Rot. Bonds4

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

3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide (PubChem CID 103369352) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide
PubChem CID103369352
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide
SMILESCC1CCCCC1N(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C12H22F3N3O/c1-8-5-3-4-6-10(8)18(2)7-9(11(16)17-19)12(13,14)15/h8-10,19H,3-7H2,1-2H3,(H2,16,17)
InChIKeyZNZDPUZWHUHVAX-UHFFFAOYSA-N
XLogP2.42
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide (CID 103369352) is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide is CC1CCCCC1N(C)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide?
The InChIKey is ZNZDPUZWHUHVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-8-5-3-4-6-10(8)18(2)7-9(11(16)17-19)12(13,14)15/h8-10,19H,3-7H2,1-2H3,(H2,16,17).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide has a molecular weight of 281.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).