potassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide

C6H11BF3KN2 — CID 63703586

IUPACpotassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide
SMILESCC(CC#N)N(C)C[B-](F)(F)F.[K+]
InChIInChI=1S/C6H11BF3N2.K/c1-6(3-4-11)12(2)5-7(8,9)10;/h6H,3,5H2,1-2H3;/q-1;+1
InChIKeyONTZWJOIPQRLQJ-UHFFFAOYSA-N
MW218.07 g/mol
LogP-1.39
Rot. Bonds4

About potassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide

potassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide (PubChem CID 63703586) has the molecular formula C6H11BF3KN2 and a molecular weight of 218.07 g/mol. Its IUPAC name is potassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide
PubChem CID63703586
Molecular FormulaC6H11BF3KN2
Molecular Weight218.07 g/mol
Exact Mass218.06
IUPAC Namepotassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide
SMILESCC(CC#N)N(C)C[B-](F)(F)F.[K+]
InChIInChI=1S/C6H11BF3N2.K/c1-6(3-4-11)12(2)5-7(8,9)10;/h6H,3,5H2,1-2H3;/q-1;+1
InChIKeyONTZWJOIPQRLQJ-UHFFFAOYSA-N
XLogP-1.39
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide?
The IUPAC name of potassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide (CID 63703586) is potassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide.
What is the SMILES notation for potassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide?
The canonical SMILES for potassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide is CC(CC#N)N(C)C[B-](F)(F)F.[K+].
What is the InChIKey of potassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide?
The InChIKey is ONTZWJOIPQRLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BF3N2.K/c1-6(3-4-11)12(2)5-7(8,9)10;/h6H,3,5H2,1-2H3;/q-1;+1.
What are the key properties of potassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide?
potassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide has a molecular weight of 218.07 g/mol, XLogP of -1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [1-cyanopropan-2-yl(methyl)amino]methyl-trifluoroboranuide is sourced from PubChem (CID 63703586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).