3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide

C11H20F3N3O2 — CID 103370123

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide
SMILESNC(=NO)C(CNC1CCCCCC1O)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)7(10(15)17-19)6-16-8-4-2-1-3-5-9(8)18/h7-9,16,18-19H,1-6H2,(H2,15,17)
InChIKeyODBZJDITSVYGBL-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.19
Rot. Bonds4

About 3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide (PubChem CID 103370123) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide
PubChem CID103370123
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide
SMILESNC(=NO)C(CNC1CCCCCC1O)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)7(10(15)17-19)6-16-8-4-2-1-3-5-9(8)18/h7-9,16,18-19H,1-6H2,(H2,15,17)
InChIKeyODBZJDITSVYGBL-UHFFFAOYSA-N
XLogP1.19
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.19
H-Bond Donors ≤ 54
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

2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369471
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369847
3,3,3-trifluoro-2-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-N'-hydroxypropanimidamide
CID 103369819
3,3,3-trifluoro-N'-hydroxy-2-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]propanimidamide
CID 103370013
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370058
2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370101
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclohexyl)methylamino]methyl]propanimidamide
CID 106136353
3,3,3-trifluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanimidamide
CID 103369937
3,3,3-trifluoro-N'-hydroxy-2-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]propanimidamide
CID 103370117
2-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370014
2-[[cyclohexyl(ethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369223
3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylpiperidin-4-yl)methylamino]methyl]propanimidamide
CID 103369842

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide (CID 103370123) is 3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide is NC(=NO)C(CNC1CCCCCC1O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide?
The InChIKey is ODBZJDITSVYGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c12-11(13,14)7(10(15)17-19)6-16-8-4-2-1-3-5-9(8)18/h7-9,16,18-19H,1-6H2,(H2,15,17).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide has a molecular weight of 283.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).