2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C11H20F3N3O2 — CID 103369343

IUPAC2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CN(CCO)C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)9(10(15)16-19)7-17(5-6-18)8-3-1-2-4-8/h8-9,18-19H,1-7H2,(H2,15,16)
InChIKeyINNBGMNSWPOWII-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.15
Rot. Bonds6

About 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369343) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369343
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CN(CCO)C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)9(10(15)16-19)7-17(5-6-18)8-3-1-2-4-8/h8-9,18-19H,1-7H2,(H2,15,16)
InChIKeyINNBGMNSWPOWII-UHFFFAOYSA-N
XLogP1.15
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.15
H-Bond Donors ≤ 53
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-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369278
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 103369286
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103369303
2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369322
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369339
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103369341
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369342
3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103369354
3,3,3-trifluoro-N'-hydroxy-2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]propanimidamide
CID 103370152
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]propanimidamide
CID 103370176
2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370253
3,3,3-Trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103370662

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369343) is 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is NC(=NO)C(CN(CCO)C1CCCC1)C(F)(F)F.
What is the InChIKey of 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is INNBGMNSWPOWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c12-11(13,14)9(10(15)16-19)7-17(5-6-18)8-3-1-2-4-8/h8-9,18-19H,1-7H2,(H2,15,16).
What are the key properties of 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 283.29 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).