N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide

C9H18F3N3O2 — CID 107480165

IUPACN'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILESNC(CCCCN(CCO)CC(F)(F)F)=NO
InChIInChI=1S/C9H18F3N3O2/c10-9(11,12)7-15(5-6-16)4-2-1-3-8(13)14-17/h16-17H,1-7H2,(H2,13,14)
InChIKeyGPTMAKBOSDQOSW-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.76
Rot. Bonds8

About N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide

N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide (PubChem CID 107480165) has the molecular formula C9H18F3N3O2 and a molecular weight of 257.26 g/mol. Its IUPAC name is N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
PubChem CID107480165
Molecular FormulaC9H18F3N3O2
Molecular Weight257.26 g/mol
Exact Mass257.14
IUPAC NameN'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILESNC(CCCCN(CCO)CC(F)(F)F)=NO
InChIInChI=1S/C9H18F3N3O2/c10-9(11,12)7-15(5-6-16)4-2-1-3-8(13)14-17/h16-17H,1-7H2,(H2,13,14)
InChIKeyGPTMAKBOSDQOSW-UHFFFAOYSA-N
XLogP0.76
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.76
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'}

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Related Compounds

N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide
CID 109374606
5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 109374620
N'-hydroxy-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 76912547
10,10,10-trifluoro-N'-hydroxydecanimidamide
CID 172857318
2-[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]ethanol
CID 103865004
5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
CID 94230162
5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide
CID 107869923
5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide
CID 76928038
2-[2-azidoethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484811
2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484786
2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485821
5-[ethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374551

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide (CID 107480165) is N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide is NC(CCCCN(CCO)CC(F)(F)F)=NO.
What is the InChIKey of N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The InChIKey is GPTMAKBOSDQOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2/c10-9(11,12)7-15(5-6-16)4-2-1-3-8(13)14-17/h16-17H,1-7H2,(H2,13,14).
What are the key properties of N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide has a molecular weight of 257.26 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide is sourced from PubChem (CID 107480165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).