3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide

C12H22F3N3O2 — CID 103369680

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide
SMILESCC1CCC(CO)(NCC(C(N)=NO)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O2/c1-8-2-4-11(7-19,5-3-8)17-6-9(10(16)18-20)12(13,14)15/h8-9,17,19-20H,2-7H2,1H3,(H2,16,18)
InChIKeyYDERNQSFMUZTSQ-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.44
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide (PubChem CID 103369680) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide
PubChem CID103369680
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide
SMILESCC1CCC(CO)(NCC(C(N)=NO)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O2/c1-8-2-4-11(7-19,5-3-8)17-6-9(10(16)18-20)12(13,14)15/h8-9,17,19-20H,2-7H2,1H3,(H2,16,18)
InChIKeyYDERNQSFMUZTSQ-UHFFFAOYSA-N
XLogP1.44
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.44
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'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]propanimidamide
CID 103369683
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanimidamide
CID 103369687
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]propanimidamide
CID 103369906
3,3,3-trifluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]propanimidamide
CID 106361742
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]propanimidamide
CID 113807989
N'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide
CID 64329402
N'-hydroxy-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]butanimidamide
CID 64329615
N'-hydroxy-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pentanimidamide
CID 64330035
N'-hydroxy-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]butanimidamide
CID 64330243
N'-hydroxy-4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]butanimidamide
CID 64330453
N'-hydroxy-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide
CID 77027181
N'-hydroxy-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2-methylpropanimidamide
CID 77027182

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide (CID 103369680) is 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide is CC1CCC(CO)(NCC(C(N)=NO)C(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide?
The InChIKey is YDERNQSFMUZTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2/c1-8-2-4-11(7-19,5-3-8)17-6-9(10(16)18-20)12(13,14)15/h8-9,17,19-20H,2-7H2,1H3,(H2,16,18).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide has a molecular weight of 297.32 g/mol, XLogP of 1.44, 5 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-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]propanimidamide is sourced from PubChem (CID 103369680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).