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

C10H18BF3KNO — CID 106746083

IUPACpotassium trifluoro-[3-[methyl(oxan-3-ylmethyl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)CC1CCCOC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H18BF3NO.K/c1-9(11(12,13)14)6-15(2)7-10-4-3-5-16-8-10;/h10H,1,3-8H2,2H3;/q-1;+1
InChIKeyWDORJRKPSQUUON-UHFFFAOYSA-N
MW275.16 g/mol
LogP-0.71
Rot. Bonds5

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

potassium trifluoro-[3-[methyl(oxan-3-ylmethyl)amino]prop-1-en-2-yl]boranuide (PubChem CID 106746083) has the molecular formula C10H18BF3KNO and a molecular weight of 275.16 g/mol. Its IUPAC name is potassium trifluoro-[3-[methyl(oxan-3-ylmethyl)amino]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-[methyl(oxan-3-ylmethyl)amino]prop-1-en-2-yl]boranuide
PubChem CID106746083
Molecular FormulaC10H18BF3KNO
Molecular Weight275.16 g/mol
Exact Mass275.11
IUPAC Namepotassium trifluoro-[3-[methyl(oxan-3-ylmethyl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)CC1CCCOC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H18BF3NO.K/c1-9(11(12,13)14)6-15(2)7-10-4-3-5-16-8-10;/h10H,1,3-8H2,2H3;/q-1;+1
InChIKeyWDORJRKPSQUUON-UHFFFAOYSA-N
XLogP-0.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium trifluoro-[3-[methyl(oxan-3-ylmethyl)amino]prop-1-en-2-yl]boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[methyl(oxan-3-ylmethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073181
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490
2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 63713462
1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63712788
3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 66010095
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol
CID 114495650
trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide
CID 106746162
1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 112561683
1-(2,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63713465

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-[methyl(oxan-3-ylmethyl)amino]prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-[methyl(oxan-3-ylmethyl)amino]prop-1-en-2-yl]boranuide (CID 106746083) is potassium trifluoro-[3-[methyl(oxan-3-ylmethyl)amino]prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-[methyl(oxan-3-ylmethyl)amino]prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-[methyl(oxan-3-ylmethyl)amino]prop-1-en-2-yl]boranuide is C=C(CN(C)CC1CCCOC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-[methyl(oxan-3-ylmethyl)amino]prop-1-en-2-yl]boranuide?
The InChIKey is WDORJRKPSQUUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BF3NO.K/c1-9(11(12,13)14)6-15(2)7-10-4-3-5-16-8-10;/h10H,1,3-8H2,2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-[methyl(oxan-3-ylmethyl)amino]prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-[methyl(oxan-3-ylmethyl)amino]prop-1-en-2-yl]boranuide has a molecular weight of 275.16 g/mol, XLogP of -0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-[methyl(oxan-3-ylmethyl)amino]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).