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

C10H18F3N3O — CID 103369471

IUPAC2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CNC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)8(9(14)16-17)6-15-7-4-2-1-3-5-7/h7-8,15,17H,1-6H2,(H2,14,16)
InChIKeyDJUZIWJUPCIRSL-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.83
Rot. Bonds4

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

2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369471) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369471
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CNC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)8(9(14)16-17)6-15-7-4-2-1-3-5-7/h7-8,15,17H,1-6H2,(H2,14,16)
InChIKeyDJUZIWJUPCIRSL-UHFFFAOYSA-N
XLogP1.83
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.83
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

3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycycloheptyl)amino]methyl]propanimidamide
CID 103370123
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370054
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370058
3,3,3-trifluoro-N'-hydroxy-2-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]propanimidamide
CID 103370117
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369847
2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370101
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
3,3,3-trifluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanimidamide
CID 103369937
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclohexyl)methylamino]methyl]propanimidamide
CID 106136353
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

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369471) is 2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is NC(=NO)C(CNC1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is DJUZIWJUPCIRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c11-10(12,13)8(9(14)16-17)6-15-7-4-2-1-3-5-7/h7-8,15,17H,1-6H2,(H2,14,16).
What are the key properties of 2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 253.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).