potassium 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide

C11H20BF3KN — CID 106745624

IUPACpotassium 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CC)C1CCCCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C11H20BF3N.K/c1-3-16(9-10(2)12(13,14)15)11-7-5-4-6-8-11;/h11H,2-9H2,1H3;/q-1;+1
InChIKeyNLLVWDFBUZJLFS-UHFFFAOYSA-N
MW273.19 g/mol
LogP0.59
Rot. Bonds5

About potassium 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide

potassium 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745624) has the molecular formula C11H20BF3KN and a molecular weight of 273.19 g/mol. Its IUPAC name is potassium 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745624
Molecular FormulaC11H20BF3KN
Molecular Weight273.19 g/mol
Exact Mass273.13
IUPAC Namepotassium 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CC)C1CCCCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C11H20BF3N.K/c1-3-16(9-10(2)12(13,14)15)11-7-5-4-6-8-11;/h11H,2-9H2,1H3;/q-1;+1
InChIKeyNLLVWDFBUZJLFS-UHFFFAOYSA-N
XLogP0.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide (CID 106745624) is potassium 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide is C=C(CN(CC)C1CCCCC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is NLLVWDFBUZJLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BF3N.K/c1-3-16(9-10(2)12(13,14)15)11-7-5-4-6-8-11;/h11H,2-9H2,1H3;/q-1;+1.
What are the key properties of potassium 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
potassium 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 273.19 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[cyclohexyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).