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

C10H20F3N3O — CID 103369254

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[methyl(pentyl)amino]methyl]propanimidamide
SMILESCCCCCN(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-3-4-5-6-16(2)7-8(9(14)15-17)10(11,12)13/h8,17H,3-7H2,1-2H3,(H2,14,15)
InChIKeyGYMHXFNCDFWJMN-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.03
Rot. Bonds7

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

3,3,3-trifluoro-N'-hydroxy-2-[[methyl(pentyl)amino]methyl]propanimidamide (PubChem CID 103369254) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(pentyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl(pentyl)amino]methyl]propanimidamide
PubChem CID103369254
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl(pentyl)amino]methyl]propanimidamide
SMILESCCCCCN(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-3-4-5-6-16(2)7-8(9(14)15-17)10(11,12)13/h8,17H,3-7H2,1-2H3,(H2,14,15)
InChIKeyGYMHXFNCDFWJMN-UHFFFAOYSA-N
XLogP2.03
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.03
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-[[methyl(pentyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(pentyl)amino]methyl]propanimidamide (CID 103369254) is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(pentyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(pentyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(pentyl)amino]methyl]propanimidamide is CCCCCN(C)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(pentyl)amino]methyl]propanimidamide?
The InChIKey is GYMHXFNCDFWJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-3-4-5-6-16(2)7-8(9(14)15-17)10(11,12)13/h8,17H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(pentyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(pentyl)amino]methyl]propanimidamide has a molecular weight of 255.28 g/mol, XLogP of 2.03, 7 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(pentyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).