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

C10H20F3N3O — CID 55011287

IUPACN'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILESCCCN(CCCC/C(N)=N/O)CC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-2-6-16(8-10(11,12)13)7-4-3-5-9(14)15-17/h17H,2-8H2,1H3,(H2,14,15)
InChIKeyZBKMAYUNAFXULX-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.18
Rot. Bonds8

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

N'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide (PubChem CID 55011287) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is N'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
PubChem CID55011287
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC NameN'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILESCCCN(CCCC/C(N)=N/O)CC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-2-6-16(8-10(11,12)13)7-4-3-5-9(14)15-17/h17H,2-8H2,1H3,(H2,14,15)
InChIKeyZBKMAYUNAFXULX-UHFFFAOYSA-N
XLogP2.18
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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': '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

4-(diethylamino)-N'-hydroxybutanimidamide
CID 559614
(Z)-4-(Diethylamino)-N'-hydroxybutanimidamide
CID 5368019
N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 43186225
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 55011238
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 55011239
N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 55011240
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 55011288
N'-hydroxy-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 55011289
N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 60890616
N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 60890993
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 60921497
N'-hydroxy-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 61524362

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide (CID 55011287) is N'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide is CCCN(CCCC/C(N)=N/O)CC(F)(F)F.
What is the InChIKey of N'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The InChIKey is ZBKMAYUNAFXULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-2-6-16(8-10(11,12)13)7-4-3-5-9(14)15-17/h17H,2-8H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
N'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide has a molecular weight of 255.28 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide is sourced from PubChem (CID 55011287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).