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

C10H18BF3KN — CID 57415752

IUPACpotassium 3-[cyclohexyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(C)C1CCCCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H18BF3N.K/c1-9(11(12,13)14)8-15(2)10-6-4-3-5-7-10;/h10H,1,3-8H2,2H3;/q-1;+1
InChIKeyLPXKASJYBNXBBI-UHFFFAOYSA-N
MW259.16 g/mol
LogP0.20
Rot. Bonds4

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

potassium 3-[cyclohexyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide (PubChem CID 57415752) has the molecular formula C10H18BF3KN and a molecular weight of 259.16 g/mol. Its IUPAC name is potassium 3-[cyclohexyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-[cyclohexyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
PubChem CID57415752
Molecular FormulaC10H18BF3KN
Molecular Weight259.16 g/mol
Exact Mass259.11
IUPAC Namepotassium 3-[cyclohexyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(C)C1CCCCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H18BF3N.K/c1-9(11(12,13)14)8-15(2)10-6-4-3-5-7-10;/h10H,1,3-8H2,2H3;/q-1;+1
InChIKeyLPXKASJYBNXBBI-UHFFFAOYSA-N
XLogP0.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 50.20
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(methyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-[cyclohexyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide (CID 57415752) is potassium 3-[cyclohexyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-[cyclohexyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-[cyclohexyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide is C=C(CN(C)C1CCCCC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-[cyclohexyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is LPXKASJYBNXBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BF3N.K/c1-9(11(12,13)14)8-15(2)10-6-4-3-5-7-10;/h10H,1,3-8H2,2H3;/q-1;+1.
What are the key properties of potassium 3-[cyclohexyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide?
potassium 3-[cyclohexyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 259.16 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[cyclohexyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 57415752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).