3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide

C11H22F3N3O — CID 103370662

IUPAC3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)C(CC)CC)C(F)(F)F
InChIInChI=1S/C11H22F3N3O/c1-3-8(4-2)17(5-6-18)7-9(10(15)16)11(12,13)14/h8-9,18H,3-7H2,1-2H3,(H3,15,16)
InChIKeyLCIIXNMPYPXJHE-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.58
Rot. Bonds8

About 3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide

3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide (PubChem CID 103370662) has the molecular formula C11H22F3N3O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
PubChem CID103370662
Molecular FormulaC11H22F3N3O
Molecular Weight269.31 g/mol
Exact Mass269.17
IUPAC Name3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)C(CC)CC)C(F)(F)F
InChIInChI=1S/C11H22F3N3O/c1-3-8(4-2)17(5-6-18)7-9(10(15)16)11(12,13)14/h8-9,18H,3-7H2,1-2H3,(H3,15,16)
InChIKeyLCIIXNMPYPXJHE-UHFFFAOYSA-N
XLogP1.58
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.58
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'}

Analyze 3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)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

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide (CID 103370662) is 3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide is [H]/N=C(\N)C(CN(CCO)C(CC)CC)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide?
The InChIKey is LCIIXNMPYPXJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O/c1-3-8(4-2)17(5-6-18)7-9(10(15)16)11(12,13)14/h8-9,18H,3-7H2,1-2H3,(H3,15,16).
What are the key properties of 3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide?
3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide has a molecular weight of 269.31 g/mol, XLogP of 1.58, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).