3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide

C10H18F3N3O2 — CID 106136293

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide
SMILESNC(=NO)C(CNCC1CCC(O)C1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)8(9(14)16-18)5-15-4-6-1-2-7(17)3-6/h6-8,15,17-18H,1-5H2,(H2,14,16)
InChIKeyDOCWSJIIMSURFS-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.66
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide (PubChem CID 106136293) 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-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide
PubChem CID106136293
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide
SMILESNC(=NO)C(CNCC1CCC(O)C1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)8(9(14)16-18)5-15-4-6-1-2-7(17)3-6/h6-8,15,17-18H,1-5H2,(H2,14,16)
InChIKeyDOCWSJIIMSURFS-UHFFFAOYSA-N
XLogP0.66
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.66
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-[[(3-hydroxycyclopentyl)methylamino]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-[[(2-hydroxycyclopentyl)methylamino]methyl]propanimidamide
CID 103369936
3,3,3-trifluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanimidamide
CID 103369937
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanimidamide
CID 103370077
3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanimidamide
CID 106115548
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclohexyl)methylamino]methyl]propanimidamide
CID 106136353
3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxycyclohexyl)methylamino]methyl]propanimidamide
CID 106136379
3,3,3-trifluoro-N'-hydroxy-2-[[(5-hydroxy-4-methylpentyl)amino]methyl]propanimidamide
CID 106161743
3,3,3-trifluoro-N'-hydroxy-2-[(5-hydroxypentylamino)methyl]propanimidamide
CID 107317909
N'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide
CID 106136283
N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
CID 106136295
N'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]butanimidamide
CID 106136297
N'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide
CID 106136305

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide (CID 106136293) is 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide is NC(=NO)C(CNCC1CCC(O)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide?
The InChIKey is DOCWSJIIMSURFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c11-10(12,13)8(9(14)16-18)5-15-4-6-1-2-7(17)3-6/h6-8,15,17-18H,1-5H2,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide has a molecular weight of 269.27 g/mol, XLogP of 0.66, 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-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide is sourced from PubChem (CID 106136293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).