5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide

C10H18F3N3O — CID 55011239

IUPAC5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
SMILESN/C(CCCCN(CC(F)(F)F)C1CC1)=N/O
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)7-16(8-4-5-8)6-2-1-3-9(14)15-17/h8,17H,1-7H2,(H2,14,15)
InChIKeyXPXFATMHQDWGLG-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.93
Rot. Bonds7

About 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide

5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide (PubChem CID 55011239) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
PubChem CID55011239
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
SMILESN/C(CCCCN(CC(F)(F)F)C1CC1)=N/O
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)7-16(8-4-5-8)6-2-1-3-9(14)15-17/h8,17H,1-7H2,(H2,14,15)
InChIKeyXPXFATMHQDWGLG-UHFFFAOYSA-N
XLogP1.93
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.93
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 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide (CID 55011239) is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide is N/C(CCCCN(CC(F)(F)F)C1CC1)=N/O.
What is the InChIKey of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is XPXFATMHQDWGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c11-10(12,13)7-16(8-4-5-8)6-2-1-3-9(14)15-17/h8,17H,1-7H2,(H2,14,15).
What are the key properties of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide?
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 253.27 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 55011239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).