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

C11H22BF3N- — CID 106745802

IUPAC3-[ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CC)CC(CC)CC)[B-](F)(F)F
InChIInChI=1S/C11H22BF3N/c1-5-11(6-2)9-16(7-3)8-10(4)12(13,14)15/h11H,4-9H2,1-3H3/q-1
InChIKeyFOULWEURICOOPA-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.69
Rot. Bonds8

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

3-[ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745802) has the molecular formula C11H22BF3N- and a molecular weight of 236.11 g/mol. Its IUPAC name is 3-[ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Name3-[ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745802
Molecular FormulaC11H22BF3N-
Molecular Weight236.11 g/mol
Exact Mass236.18
IUPAC Name3-[ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CC)CC(CC)CC)[B-](F)(F)F
InChIInChI=1S/C11H22BF3N/c1-5-11(6-2)9-16(7-3)8-10(4)12(13,14)15/h11H,4-9H2,1-3H3/q-1
InChIKeyFOULWEURICOOPA-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of 3-[ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide (CID 106745802) is 3-[ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for 3-[ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for 3-[ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide is C=C(CN(CC)CC(CC)CC)[B-](F)(F)F.
What is the InChIKey of 3-[ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is FOULWEURICOOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BF3N/c1-5-11(6-2)9-16(7-3)8-10(4)12(13,14)15/h11H,4-9H2,1-3H3/q-1.
What are the key properties of 3-[ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide?
3-[ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 236.11 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).