potassium [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide

C7H11BF3KN2 — CID 63703322

IUPACpotassium [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide
SMILESN#CCCN(C[B-](F)(F)F)C1CC1.[K+]
InChIInChI=1S/C7H11BF3N2.K/c9-8(10,11)6-13(5-1-4-12)7-2-3-7;/h7H,1-3,5-6H2;/q-1;+1
InChIKeyIQVXATJKFRYNBG-UHFFFAOYSA-N
MW230.08 g/mol
LogP-1.24
Rot. Bonds5

About potassium [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide

potassium [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide (PubChem CID 63703322) has the molecular formula C7H11BF3KN2 and a molecular weight of 230.08 g/mol. Its IUPAC name is potassium [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide
PubChem CID63703322
Molecular FormulaC7H11BF3KN2
Molecular Weight230.08 g/mol
Exact Mass230.06
IUPAC Namepotassium [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide
SMILESN#CCCN(C[B-](F)(F)F)C1CC1.[K+]
InChIInChI=1S/C7H11BF3N2.K/c9-8(10,11)6-13(5-1-4-12)7-2-3-7;/h7H,1-3,5-6H2;/q-1;+1
InChIKeyIQVXATJKFRYNBG-UHFFFAOYSA-N
XLogP-1.24
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 5-1.24
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 [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide?
The IUPAC name of potassium [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide (CID 63703322) is potassium [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide.
What is the SMILES notation for potassium [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide?
The canonical SMILES for potassium [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide is N#CCCN(C[B-](F)(F)F)C1CC1.[K+].
What is the InChIKey of potassium [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide?
The InChIKey is IQVXATJKFRYNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BF3N2.K/c9-8(10,11)6-13(5-1-4-12)7-2-3-7;/h7H,1-3,5-6H2;/q-1;+1.
What are the key properties of potassium [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide?
potassium [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide has a molecular weight of 230.08 g/mol, XLogP of -1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2-cyanoethyl(cyclopropyl)amino]methyl-trifluoroboranuide is sourced from PubChem (CID 63703322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).