potassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide

C9H18BF3KN — CID 106745749

IUPACpotassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)C(C)CCC)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H18BF3N.K/c1-5-6-9(3)14(4)7-8(2)10(11,12)13;/h9H,2,5-7H2,1,3-4H3;/q-1;+1
InChIKeyRSYSFSKNBRLRLJ-UHFFFAOYSA-N
MW247.15 g/mol
LogP0.05
Rot. Bonds6

About potassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide

potassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide (PubChem CID 106745749) has the molecular formula C9H18BF3KN and a molecular weight of 247.15 g/mol. Its IUPAC name is potassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide
PubChem CID106745749
Molecular FormulaC9H18BF3KN
Molecular Weight247.15 g/mol
Exact Mass247.11
IUPAC Namepotassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)C(C)CCC)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H18BF3N.K/c1-5-6-9(3)14(4)7-8(2)10(11,12)13;/h9H,2,5-7H2,1,3-4H3;/q-1;+1
InChIKeyRSYSFSKNBRLRLJ-UHFFFAOYSA-N
XLogP0.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[butan-2-yl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745676
potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide
CID 106745789
potassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide
CID 106745843
trifluoro-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]prop-1-en-2-yl]boranuide
CID 106746228
trifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide
CID 106745698
trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide
CID 106746134
(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol
CID 103934964
ethane;(2R)-N-ethyl-N-methylpentan-2-amine
CID 142583789
3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745916
potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745833
N-(2-bromoethyl)-N-methylpentan-2-amine
CID 61287340
1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone
CID 43796904

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide (CID 106745749) is potassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide is C=C(CN(C)C(C)CCC)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide?
The InChIKey is RSYSFSKNBRLRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BF3N.K/c1-5-6-9(3)14(4)7-8(2)10(11,12)13;/h9H,2,5-7H2,1,3-4H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide has a molecular weight of 247.15 g/mol, XLogP of 0.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106745749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).