2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C8H14F3N3O — CID 103369245

IUPAC2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(CC(C(N)=NO)C(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3N3O/c1-14(5-2-3-5)4-6(7(12)13-15)8(9,10)11/h5-6,15H,2-4H2,1H3,(H2,12,13)
InChIKeyXPBILZUGDXCNIN-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.01
Rot. Bonds4

About 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369245) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369245
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC Name2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(CC(C(N)=NO)C(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3N3O/c1-14(5-2-3-5)4-6(7(12)13-15)8(9,10)11/h5-6,15H,2-4H2,1H3,(H2,12,13)
InChIKeyXPBILZUGDXCNIN-UHFFFAOYSA-N
XLogP1.01
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.01
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

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 55011238
N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 60890994
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
CID 61604479
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 76206084
N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 76883641
3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910344
3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910355
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910852
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76911379
3-[2,2-difluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 76911385
3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76911842
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76911850

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369245) is 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CN(CC(C(N)=NO)C(F)(F)F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is XPBILZUGDXCNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c1-14(5-2-3-5)4-6(7(12)13-15)8(9,10)11/h5-6,15H,2-4H2,1H3,(H2,12,13).
What are the key properties of 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 225.21 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).