3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide

C11H15F3N4O — CID 103369637

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide
SMILESCC(NCC(/C(N)=N/O)C(F)(F)F)c1ccccn1
InChIInChI=1S/C11H15F3N4O/c1-7(9-4-2-3-5-16-9)17-6-8(10(15)18-19)11(12,13)14/h2-5,7-8,17,19H,6H2,1H3,(H2,15,18)
InChIKeyXCBGLFHGNLVBIT-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.66
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide (PubChem CID 103369637) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide
PubChem CID103369637
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide
SMILESCC(NCC(/C(N)=N/O)C(F)(F)F)c1ccccn1
InChIInChI=1S/C11H15F3N4O/c1-7(9-4-2-3-5-16-9)17-6-8(10(15)18-19)11(12,13)14/h2-5,7-8,17,19H,6H2,1H3,(H2,15,18)
InChIKeyXCBGLFHGNLVBIT-UHFFFAOYSA-N
XLogP1.66
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.66
H-Bond Donors ≤ 53
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

3,3,3-trifluoro-N'-hydroxy-2-[[[(1S)-1-phenylethyl]amino]methyl]propanimidamide
CID 103369723
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
2-[[1-(4-bromophenyl)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369828
2-[[1-(4-chlorophenyl)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369814
N'-hydroxy-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanimidamide
CID 81407035
3,3,3-trifluoro-N'-hydroxy-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]propanimidamide
CID 103370036
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
3,3,3-trifluoro-N'-hydroxy-2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]propanimidamide
CID 103370044
3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide
CID 103369752
2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104860444
3,3,3-trifluoro-N'-hydroxy-2-[(3-methylbutan-2-ylamino)methyl]propanimidamide
CID 103369461
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-1-phenylethyl)amino]methyl]propanimidamide
CID 103369455

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide (CID 103369637) is 3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide is CC(NCC(/C(N)=N/O)C(F)(F)F)c1ccccn1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide?
The InChIKey is XCBGLFHGNLVBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-7(9-4-2-3-5-16-9)17-6-8(10(15)18-19)11(12,13)14/h2-5,7-8,17,19H,6H2,1H3,(H2,15,18).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide has a molecular weight of 276.26 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide is sourced from PubChem (CID 103369637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).