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

C12H22F3N3O2 — CID 103369721

IUPAC2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CNCCOC1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H22F3N3O2/c13-12(14,15)10(11(16)18-19)8-17-6-7-20-9-4-2-1-3-5-9/h9-10,17,19H,1-8H2,(H2,16,18)
InChIKeyJVKHLFLCDFEWLY-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.85
Rot. Bonds7

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

2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369721) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369721
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CNCCOC1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H22F3N3O2/c13-12(14,15)10(11(16)18-19)8-17-6-7-20-9-4-2-1-3-5-9/h9-10,17,19H,1-8H2,(H2,16,18)
InChIKeyJVKHLFLCDFEWLY-UHFFFAOYSA-N
XLogP1.85
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(oxolan-2-ylmethylamino)methyl]propanimidamide
CID 103369555
2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369719
2-[(2-butoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369764
3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide
CID 103369782
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methyloxolan-3-yl)amino]methyl]propanimidamide
CID 103370088
3,3,3-trifluoro-N'-hydroxy-2-[(2-propan-2-yloxyethylamino)methyl]propanimidamide
CID 103370157
3,3,3-trifluoro-N'-hydroxy-2-[(2-methoxypropylamino)methyl]propanimidamide
CID 103370247
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
3,3,3-trifluoro-N'-hydroxy-2-[(oxan-3-ylamino)methyl]propanimidamide
CID 113807997
3,3,3-trifluoro-N'-hydroxy-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanimidamide
CID 113808003

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369721) is 2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is NC(=NO)C(CNCCOC1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is JVKHLFLCDFEWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2/c13-12(14,15)10(11(16)18-19)8-17-6-7-20-9-4-2-1-3-5-9/h9-10,17,19H,1-8H2,(H2,16,18).
What are the key properties of 2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 297.32 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).