3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide

C10H20F3N3O2 — CID 107200090

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide
SMILESCN(CCCCCO)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-16(5-3-2-4-6-17)7-8(9(14)15-18)10(11,12)13/h8,17-18H,2-7H2,1H3,(H2,14,15)
InChIKeyRLXSDGQGNZAGSS-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.01
Rot. Bonds8

About 3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide (PubChem CID 107200090) has the molecular formula C10H20F3N3O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide
PubChem CID107200090
Molecular FormulaC10H20F3N3O2
Molecular Weight271.28 g/mol
Exact Mass271.15
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide
SMILESCN(CCCCCO)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-16(5-3-2-4-6-17)7-8(9(14)15-18)10(11,12)13/h8,17-18H,2-7H2,1H3,(H2,14,15)
InChIKeyRLXSDGQGNZAGSS-UHFFFAOYSA-N
XLogP1.01
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[3-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369267
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 103369286
2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369322
3,3,3-trifluoro-N'-hydroxy-2-[(5-hydroxypentan-2-ylamino)methyl]propanimidamide
CID 103369999
2-[[(2-ethyl-4-hydroxybutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370000
2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370171
3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxybutyl(methyl)amino]methyl]propanimidamide
CID 103370201
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]propanimidamide
CID 103370250
3,3,3-trifluoro-N'-hydroxy-2-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]propanimidamide
CID 106148659
3,3,3-trifluoro-N'-hydroxy-2-[[(5-hydroxy-4-methylpentyl)amino]methyl]propanimidamide
CID 106161743
3,3,3-Trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide
CID 107200226
3,3,3-trifluoro-N'-hydroxy-2-[(5-hydroxypentylamino)methyl]propanimidamide
CID 107317909

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide (CID 107200090) is 3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide is CN(CCCCCO)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide?
The InChIKey is RLXSDGQGNZAGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2/c1-16(5-3-2-4-6-17)7-8(9(14)15-18)10(11,12)13/h8,17-18H,2-7H2,1H3,(H2,14,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide has a molecular weight of 271.28 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide is sourced from PubChem (CID 107200090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).