N'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide

C8H14F3N3O — CID 106213709

IUPACN'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide
SMILESCC(CNC1(C(F)(F)F)CC1)C(N)=NO
InChIInChI=1S/C8H14F3N3O/c1-5(6(12)14-15)4-13-7(2-3-7)8(9,10)11/h5,13,15H,2-4H2,1H3,(H2,12,14)
InChIKeyQJVCIHKGONZEQX-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.05
Rot. Bonds4

About N'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide

N'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide (PubChem CID 106213709) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide
PubChem CID106213709
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC NameN'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide
SMILESCC(CNC1(C(F)(F)F)CC1)C(N)=NO
InChIInChI=1S/C8H14F3N3O/c1-5(6(12)14-15)4-13-7(2-3-7)8(9,10)11/h5,13,15H,2-4H2,1H3,(H2,12,14)
InChIKeyQJVCIHKGONZEQX-UHFFFAOYSA-N
XLogP1.05
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.05
H-Bond Donors ≤ 53
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

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76912507
N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide
CID 77029332
N'-hydroxy-2-methyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77032721
2-[[cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369244
2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369245
2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369249
2-[[cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369280
2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369316
2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369319
2-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369345
2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369349
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369361

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide (CID 106213709) is N'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide is CC(CNC1(C(F)(F)F)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide?
The InChIKey is QJVCIHKGONZEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c1-5(6(12)14-15)4-13-7(2-3-7)8(9,10)11/h5,13,15H,2-4H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide?
N'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide has a molecular weight of 225.21 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide is sourced from PubChem (CID 106213709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).