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

C7H12F3N3O — CID 103369458

IUPAC2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CNC1CC1)C(F)(F)F
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)5(6(11)13-14)3-12-4-1-2-4/h4-5,12,14H,1-3H2,(H2,11,13)
InChIKeyOSTGGHRNMNQIDC-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.66
Rot. Bonds4

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

2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369458) has the molecular formula C7H12F3N3O and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369458
Molecular FormulaC7H12F3N3O
Molecular Weight211.19 g/mol
Exact Mass211.09
IUPAC Name2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CNC1CC1)C(F)(F)F
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)5(6(11)13-14)3-12-4-1-2-4/h4-5,12,14H,1-3H2,(H2,11,13)
InChIKeyOSTGGHRNMNQIDC-UHFFFAOYSA-N
XLogP0.66
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.66
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-difluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76911842
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76911850
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76912507
N'-hydroxy-3-(2,2,2-trifluoroethylamino)propanimidamide
CID 77029131
N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide
CID 77029332
N'-hydroxy-3-(2,2,2-trifluoroethylamino)butanimidamide
CID 77029333
N'-hydroxy-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77032720
N'-hydroxy-2-methyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77032721
N'-hydroxy-3-(3,3,3-trifluoropropylamino)butanimidamide
CID 77032865
3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide
CID 77046533
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

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369458) is 2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is NC(=NO)C(CNC1CC1)C(F)(F)F.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is OSTGGHRNMNQIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O/c8-7(9,10)5(6(11)13-14)3-12-4-1-2-4/h4-5,12,14H,1-3H2,(H2,11,13).
What are the key properties of 2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 211.19 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).