N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide

C10H20F3N3O2 — CID 77100280

IUPACN'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
SMILESCC(C)CN(CCOC(F)(F)F)CCC(N)=NO
InChIInChI=1S/C10H20F3N3O2/c1-8(2)7-16(4-3-9(14)15-17)5-6-18-10(11,12)13/h8,17H,3-7H2,1-2H3,(H2,14,15)
InChIKeyMVQKYTLRJJUOMT-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.62
Rot. Bonds8

About N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide

N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide (PubChem CID 77100280) has the molecular formula C10H20F3N3O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
PubChem CID77100280
Molecular FormulaC10H20F3N3O2
Molecular Weight271.28 g/mol
Exact Mass271.15
IUPAC NameN'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
SMILESCC(C)CN(CCOC(F)(F)F)CCC(N)=NO
InChIInChI=1S/C10H20F3N3O2/c1-8(2)7-16(4-3-9(14)15-17)5-6-18-10(11,12)13/h8,17H,3-7H2,1-2H3,(H2,14,15)
InChIKeyMVQKYTLRJJUOMT-UHFFFAOYSA-N
XLogP1.62
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
CID 54986697
3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917226
N'-hydroxy-3-(trifluoromethoxy)propanimidamide
CID 77100260
N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide
CID 76914449
N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide
CID 76997716
N'-hydroxy-3-[2-methylbutyl(2-methylpropyl)amino]propanimidamide
CID 76935617
3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104863480
3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 116789548
N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide
CID 76937907
N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide
CID 76917326
3-[(4-fluorophenyl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917283
N'-hydroxy-3-[2-methylpropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanimidamide
CID 104928290

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide (CID 77100280) is N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide is CC(C)CN(CCOC(F)(F)F)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide?
The InChIKey is MVQKYTLRJJUOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2/c1-8(2)7-16(4-3-9(14)15-17)5-6-18-10(11,12)13/h8,17H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide?
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide has a molecular weight of 271.28 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide is sourced from PubChem (CID 77100280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).