3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide

C10H18F3N3O2 — CID 103369782

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCC1CCCCO1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)8(9(14)16-17)6-15-5-7-3-1-2-4-18-7/h7-8,15,17H,1-6H2,(H2,14,16)
InChIKeyMSACJJSFWNUUCM-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.07
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide (PubChem CID 103369782) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide
PubChem CID103369782
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCC1CCCCO1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)8(9(14)16-17)6-15-5-7-3-1-2-4-18-7/h7-8,15,17H,1-6H2,(H2,14,16)
InChIKeyMSACJJSFWNUUCM-UHFFFAOYSA-N
XLogP1.07
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.07
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-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide
CID 103369307
3,3,3-trifluoro-N'-hydroxy-2-[(3-propoxypiperidin-1-yl)methyl]propanimidamide
CID 103369337
2-[(3-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369338
3,3,3-trifluoro-N'-hydroxy-2-[(oxolan-2-ylmethylamino)methyl]propanimidamide
CID 103369555
3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide
CID 103369636
2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369719
2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369721
2-[(1,4-dioxan-2-ylmethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369749
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide
CID 103370259
3,3,3-Trifluoro-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide
CID 103370631
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methyloxan-4-yl)amino]methyl]propanimidamide
CID 105754972
3,3,3-trifluoro-N'-hydroxy-2-[[2-(oxan-2-yl)ethylamino]methyl]propanimidamide
CID 105999500

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide (CID 103369782) is 3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide is NC(=NO)C(CNCC1CCCCO1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide?
The InChIKey is MSACJJSFWNUUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c11-10(12,13)8(9(14)16-17)6-15-5-7-3-1-2-4-18-7/h7-8,15,17H,1-6H2,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide has a molecular weight of 269.27 g/mol, XLogP of 1.07, 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-[(oxan-2-ylmethylamino)methyl]propanimidamide is sourced from PubChem (CID 103369782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).