3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide

C9H16F3N3O — CID 76912507

IUPAC3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(CC(F)(F)F)C1CC1)C(N)=NO
InChIInChI=1S/C9H16F3N3O/c1-6(8(13)14-16)4-15(7-2-3-7)5-9(10,11)12/h6-7,16H,2-5H2,1H3,(H2,13,14)
InChIKeyLCJVQGDGMMMRFF-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.40
Rot. Bonds5

About 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76912507) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76912507
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(CC(F)(F)F)C1CC1)C(N)=NO
InChIInChI=1S/C9H16F3N3O/c1-6(8(13)14-16)4-15(7-2-3-7)5-9(10,11)12/h6-7,16H,2-5H2,1H3,(H2,13,14)
InChIKeyLCJVQGDGMMMRFF-UHFFFAOYSA-N
XLogP1.40
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.40
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'}

Analyze 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 60890993
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
2-Methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 61604646
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 76206084
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 76206085
N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 76206086
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 76206091

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 76912507) is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CC(CN(CC(F)(F)F)C1CC1)C(N)=NO.
What is the InChIKey of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is LCJVQGDGMMMRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-6(8(13)14-16)4-15(7-2-3-7)5-9(10,11)12/h6-7,16H,2-5H2,1H3,(H2,13,14).
What are the key properties of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 239.24 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76912507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).