butan-2-yl(triphenyl)boranuide;tetramethylazanium

C26H36BN — CID 23110839

IUPACbutan-2-yl(triphenyl)boranuide;tetramethylazanium
SMILESCCC(C)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[N+](C)(C)C
InChIInChI=1S/C22H24B.C4H12N/c1-3-19(2)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/h4-19H,3H2,1-2H3;1-4H3/q-1;+1
InChIKeyPDGFHNAJLVLNFA-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.28
Rot. Bonds5

About butan-2-yl(triphenyl)boranuide;tetramethylazanium

butan-2-yl(triphenyl)boranuide;tetramethylazanium (PubChem CID 23110839) has the molecular formula C26H36BN and a molecular weight of 373.39 g/mol. Its IUPAC name is butan-2-yl(triphenyl)boranuide;tetramethylazanium.

Molecular Properties

Compound Namebutan-2-yl(triphenyl)boranuide;tetramethylazanium
PubChem CID23110839
Molecular FormulaC26H36BN
Molecular Weight373.39 g/mol
Exact Mass373.29
IUPAC Namebutan-2-yl(triphenyl)boranuide;tetramethylazanium
SMILESCCC(C)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[N+](C)(C)C
InChIInChI=1S/C22H24B.C4H12N/c1-3-19(2)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/h4-19H,3H2,1-2H3;1-4H3/q-1;+1
InChIKeyPDGFHNAJLVLNFA-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl(triphenyl)boranuide;tetramethylazanium?
The IUPAC name of butan-2-yl(triphenyl)boranuide;tetramethylazanium (CID 23110839) is butan-2-yl(triphenyl)boranuide;tetramethylazanium.
What is the SMILES notation for butan-2-yl(triphenyl)boranuide;tetramethylazanium?
The canonical SMILES for butan-2-yl(triphenyl)boranuide;tetramethylazanium is CCC(C)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[N+](C)(C)C.
What is the InChIKey of butan-2-yl(triphenyl)boranuide;tetramethylazanium?
The InChIKey is PDGFHNAJLVLNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24B.C4H12N/c1-3-19(2)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/h4-19H,3H2,1-2H3;1-4H3/q-1;+1.
What are the key properties of butan-2-yl(triphenyl)boranuide;tetramethylazanium?
butan-2-yl(triphenyl)boranuide;tetramethylazanium has a molecular weight of 373.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(triphenyl)boranuide;tetramethylazanium is sourced from PubChem (CID 23110839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).