trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide

C7H15BF3N2O- — CID 63703325

IUPACtrifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide
SMILESCCCNC(=O)CN(C)C[B-](F)(F)F
InChIInChI=1S/C7H15BF3N2O/c1-3-4-12-7(14)5-13(2)6-8(9,10)11/h3-6H2,1-2H3,(H,12,14)/q-1
InChIKeyLOVBELPUWQHZHG-UHFFFAOYSA-N
MW211.02 g/mol
LogP0.83
Rot. Bonds6

About trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide

trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide (PubChem CID 63703325) has the molecular formula C7H15BF3N2O- and a molecular weight of 211.02 g/mol. Its IUPAC name is trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide
PubChem CID63703325
Molecular FormulaC7H15BF3N2O-
Molecular Weight211.02 g/mol
Exact Mass211.12
IUPAC Nametrifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide
SMILESCCCNC(=O)CN(C)C[B-](F)(F)F
InChIInChI=1S/C7H15BF3N2O/c1-3-4-12-7(14)5-13(2)6-8(9,10)11/h3-6H2,1-2H3,(H,12,14)/q-1
InChIKeyLOVBELPUWQHZHG-UHFFFAOYSA-N
XLogP0.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.02
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide
CID 63701476
2-[methyl(3-oxopropyl)amino]-N-propylacetamide
CID 63040548
2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide
CID 66221480
2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037419
2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide
CID 63619039
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302973
2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 114038098
2-[acetyl(propan-2-yl)amino]-N-propylacetamide
CID 113158097
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302865
2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide
CID 104513610
2-hydroxy-N,2-dimethyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 103429649
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244

Frequently Asked Questions

What is the IUPAC name of trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide?
The IUPAC name of trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide (CID 63703325) is trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide.
What is the SMILES notation for trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide?
The canonical SMILES for trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide is CCCNC(=O)CN(C)C[B-](F)(F)F.
What is the InChIKey of trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide?
The InChIKey is LOVBELPUWQHZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BF3N2O/c1-3-4-12-7(14)5-13(2)6-8(9,10)11/h3-6H2,1-2H3,(H,12,14)/q-1.
What are the key properties of trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide?
trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide has a molecular weight of 211.02 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide is sourced from PubChem (CID 63703325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).