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

C12H24F3N3O — CID 103369344

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[pentyl(propan-2-yl)amino]methyl]propanimidamide
SMILESCCCCCN(CC(C(N)=NO)C(F)(F)F)C(C)C
InChIInChI=1S/C12H24F3N3O/c1-4-5-6-7-18(9(2)3)8-10(11(16)17-19)12(13,14)15/h9-10,19H,4-8H2,1-3H3,(H2,16,17)
InChIKeyWDLWYTAGNUNSHY-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.81
Rot. Bonds8

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

3,3,3-trifluoro-N'-hydroxy-2-[[pentyl(propan-2-yl)amino]methyl]propanimidamide (PubChem CID 103369344) has the molecular formula C12H24F3N3O and a molecular weight of 283.34 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[pentyl(propan-2-yl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[pentyl(propan-2-yl)amino]methyl]propanimidamide
PubChem CID103369344
Molecular FormulaC12H24F3N3O
Molecular Weight283.34 g/mol
Exact Mass283.19
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[pentyl(propan-2-yl)amino]methyl]propanimidamide
SMILESCCCCCN(CC(C(N)=NO)C(F)(F)F)C(C)C
InChIInChI=1S/C12H24F3N3O/c1-4-5-6-7-18(9(2)3)8-10(11(16)17-19)12(13,14)15/h9-10,19H,4-8H2,1-3H3,(H2,16,17)
InChIKeyWDLWYTAGNUNSHY-UHFFFAOYSA-N
XLogP2.81
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[pentyl(propan-2-yl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[pentyl(propan-2-yl)amino]methyl]propanimidamide (CID 103369344) is 3,3,3-trifluoro-N'-hydroxy-2-[[pentyl(propan-2-yl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[pentyl(propan-2-yl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[pentyl(propan-2-yl)amino]methyl]propanimidamide is CCCCCN(CC(C(N)=NO)C(F)(F)F)C(C)C.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[pentyl(propan-2-yl)amino]methyl]propanimidamide?
The InChIKey is WDLWYTAGNUNSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O/c1-4-5-6-7-18(9(2)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-[[pentyl(propan-2-yl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[pentyl(propan-2-yl)amino]methyl]propanimidamide has a molecular weight of 283.34 g/mol, XLogP of 2.81, 8 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-[[pentyl(propan-2-yl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).