dimethyl(phenyl)borane;4-propan-2-ylpyridine

C16H22BN — CID 68614411

IUPACdimethyl(phenyl)borane;4-propan-2-ylpyridine
SMILESCB(C)c1ccccc1.CC(C)c1ccncc1
InChIInChI=1S/C8H11B.C8H11N/c1-9(2)8-6-4-3-5-7-8;1-7(2)8-3-5-9-6-4-8/h2*3-7H,1-2H3
InChIKeyQYVUQMOBGUZSMX-UHFFFAOYSA-N
MW239.17 g/mol
LogP3.85
Rot. Bonds2

About dimethyl(phenyl)borane;4-propan-2-ylpyridine

dimethyl(phenyl)borane;4-propan-2-ylpyridine (PubChem CID 68614411) has the molecular formula C16H22BN and a molecular weight of 239.17 g/mol. Its IUPAC name is dimethyl(phenyl)borane;4-propan-2-ylpyridine.

Molecular Properties

Compound Namedimethyl(phenyl)borane;4-propan-2-ylpyridine
PubChem CID68614411
Molecular FormulaC16H22BN
Molecular Weight239.17 g/mol
Exact Mass239.18
IUPAC Namedimethyl(phenyl)borane;4-propan-2-ylpyridine
SMILESCB(C)c1ccccc1.CC(C)c1ccncc1
InChIInChI=1S/C8H11B.C8H11N/c1-9(2)8-6-4-3-5-7-8;1-7(2)8-3-5-9-6-4-8/h2*3-7H,1-2H3
InChIKeyQYVUQMOBGUZSMX-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(phenyl)borane;4-propan-2-ylpyridine?
The IUPAC name of dimethyl(phenyl)borane;4-propan-2-ylpyridine (CID 68614411) is dimethyl(phenyl)borane;4-propan-2-ylpyridine.
What is the SMILES notation for dimethyl(phenyl)borane;4-propan-2-ylpyridine?
The canonical SMILES for dimethyl(phenyl)borane;4-propan-2-ylpyridine is CB(C)c1ccccc1.CC(C)c1ccncc1.
What is the InChIKey of dimethyl(phenyl)borane;4-propan-2-ylpyridine?
The InChIKey is QYVUQMOBGUZSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11B.C8H11N/c1-9(2)8-6-4-3-5-7-8;1-7(2)8-3-5-9-6-4-8/h2*3-7H,1-2H3.
What are the key properties of dimethyl(phenyl)borane;4-propan-2-ylpyridine?
dimethyl(phenyl)borane;4-propan-2-ylpyridine has a molecular weight of 239.17 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenyl)borane;4-propan-2-ylpyridine is sourced from PubChem (CID 68614411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).