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

C11H20BF3KN — CID 106745757

IUPACpotassium 3-[cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(C)C1CCCCCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C11H20BF3N.K/c1-10(12(13,14)15)9-16(2)11-7-5-3-4-6-8-11;/h11H,1,3-9H2,2H3;/q-1;+1
InChIKeyHMYXDVMEWMTHFQ-UHFFFAOYSA-N
MW273.19 g/mol
LogP0.59
Rot. Bonds4

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

potassium 3-[cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745757) has the molecular formula C11H20BF3KN and a molecular weight of 273.19 g/mol. Its IUPAC name is potassium 3-[cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-[cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745757
Molecular FormulaC11H20BF3KN
Molecular Weight273.19 g/mol
Exact Mass273.13
IUPAC Namepotassium 3-[cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(C)C1CCCCCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C11H20BF3N.K/c1-10(12(13,14)15)9-16(2)11-7-5-3-4-6-8-11;/h11H,1,3-9H2,2H3;/q-1;+1
InChIKeyHMYXDVMEWMTHFQ-UHFFFAOYSA-N
XLogP0.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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-[cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-[cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide (CID 106745757) is potassium 3-[cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-[cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-[cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide is C=C(CN(C)C1CCCCCC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-[cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is HMYXDVMEWMTHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BF3N.K/c1-10(12(13,14)15)9-16(2)11-7-5-3-4-6-8-11;/h11H,1,3-9H2,2H3;/q-1;+1.
What are the key properties of potassium 3-[cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide?
potassium 3-[cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 273.19 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).