butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium

C26H36BNO — CID 140843246

IUPACbutyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium
SMILESCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[NH+](C)CCO
InChIInChI=1S/C22H24B.C4H11NO/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-5(2)3-4-6/h4-18H,2-3,19H2,1H3;6H,3-4H2,1-2H3/q-1;/p+1
InChIKeyKGINROBJLMMIEC-UHFFFAOYSA-O
MW389.39 g/mol
LogP2.08
Rot. Bonds8

About butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium

butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium (PubChem CID 140843246) has the molecular formula C26H36BNO and a molecular weight of 389.39 g/mol. Its IUPAC name is butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium.

Molecular Properties

Compound Namebutyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium
PubChem CID140843246
Molecular FormulaC26H36BNO
Molecular Weight389.39 g/mol
Exact Mass389.29
IUPAC Namebutyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium
SMILESCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[NH+](C)CCO
InChIInChI=1S/C22H24B.C4H11NO/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-5(2)3-4-6/h4-18H,2-3,19H2,1H3;6H,3-4H2,1-2H3/q-1;/p+1
InChIKeyKGINROBJLMMIEC-UHFFFAOYSA-O
XLogP2.08
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium 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

lithium butyl(triphenyl)boranuide
CID 23668465
butyl(triphenyl)boranuide;diphenyliodanium
CID 10962913
butyl(triphenyl)boranuide;trifluoromethanesulfonic acid
CID 171925808
benzyl(dimethyl)sulfanium;butyl(triphenyl)boranuide
CID 18982460
(2-butanoylphenyl)-butyl-diphenylboranuide
CID 140843248
butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium
CID 19047913
butyl-tris(4-methylphenyl)boranuide
CID 18400281
benzenesulfonate;2-hydroxyethyl(dimethyl)azanium
CID 139841856
butyl-phenoxy-phenylsulfanium;butyl(triphenyl)boranuide
CID 19047905
(3-fluorophenyl)-hexyl-diphenylboranuide
CID 176748764
butyl-tris(3-methylphenyl)boranuide
CID 139835830
magnesium bis(butyl(trinaphthalen-2-yl)boranuide)
CID 19598559

Frequently Asked Questions

What is the IUPAC name of butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium?
The IUPAC name of butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium (CID 140843246) is butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium.
What is the SMILES notation for butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium?
The canonical SMILES for butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium is CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[NH+](C)CCO.
What is the InChIKey of butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium?
The InChIKey is KGINROBJLMMIEC-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24B.C4H11NO/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-5(2)3-4-6/h4-18H,2-3,19H2,1H3;6H,3-4H2,1-2H3/q-1;/p+1.
What are the key properties of butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium?
butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium has a molecular weight of 389.39 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium is sourced from PubChem (CID 140843246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).