N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide

C10H20F3N3O — CID 55011240

IUPACN'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILESCCCN(CC(F)(F)F)C(CC)C/C(N)=N/O
InChIInChI=1S/C10H20F3N3O/c1-3-5-16(7-10(11,12)13)8(4-2)6-9(14)15-17/h8,17H,3-7H2,1-2H3,(H2,14,15)
InChIKeyYJJVEQLIOQPBKV-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.18
Rot. Bonds7

About N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide

N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide (PubChem CID 55011240) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
PubChem CID55011240
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC NameN'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILESCCCN(CC(F)(F)F)C(CC)C/C(N)=N/O
InChIInChI=1S/C10H20F3N3O/c1-3-5-16(7-10(11,12)13)8(4-2)6-9(14)15-17/h8,17H,3-7H2,1-2H3,(H2,14,15)
InChIKeyYJJVEQLIOQPBKV-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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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Related Compounds

CID 55011238
CID 55011238
CID 55011239
CID 55011239
CID 55011287
CID 55011287
CID 55011288
CID 55011288
CID 55011289
CID 55011289
CID 60890993
CID 60890993
CID 60891754
CID 60891754
CID 61524362
CID 61524362
CID 61604478
CID 61604478
CID 61604556
CID 61604556
CID 61604557
CID 61604557
CID 61604559
CID 61604559

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide (CID 55011240) is N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide is CCCN(CC(F)(F)F)C(CC)C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The InChIKey is YJJVEQLIOQPBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-3-5-16(7-10(11,12)13)8(4-2)6-9(14)15-17/h8,17H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide has a molecular weight of 255.28 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide is sourced from PubChem (CID 55011240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).