Dicyclohexylborane 2-picoline

C18H29BN — CID 86634995

IUPAC—
SMILESCc1ccccn1.[B](C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H22B.C6H7N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6-4-2-3-5-7-6/h11-12H,1-10H2;2-5H,1H3
InChIKeyPORWBMJOQISXPX-UHFFFAOYSA-N
MW270.25 g/mol
LogP5.59
Rot. Bonds2

About Dicyclohexylborane 2-picoline

Dicyclohexylborane 2-picoline (PubChem CID 86634995) has the molecular formula C18H29BN and a molecular weight of 270.25 g/mol.

Molecular Properties

Compound NameDicyclohexylborane 2-picoline
PubChem CID86634995
Molecular FormulaC18H29BN
Molecular Weight270.25 g/mol
Exact Mass270.24
IUPAC Name—
SMILESCc1ccccn1.[B](C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H22B.C6H7N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6-4-2-3-5-7-6/h11-12H,1-10H2;2-5H,1H3
InChIKeyPORWBMJOQISXPX-UHFFFAOYSA-N
XLogP5.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.25
LogP ≤ 55.59
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 Dicyclohexylborane 2-picoline?
The IUPAC name of Dicyclohexylborane 2-picoline (CID 86634995) is not available.
What is the SMILES notation for Dicyclohexylborane 2-picoline?
The canonical SMILES for Dicyclohexylborane 2-picoline is Cc1ccccn1.[B](C1CCCCC1)C1CCCCC1.
What is the InChIKey of Dicyclohexylborane 2-picoline?
The InChIKey is PORWBMJOQISXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22B.C6H7N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6-4-2-3-5-7-6/h11-12H,1-10H2;2-5H,1H3.
What are the key properties of Dicyclohexylborane 2-picoline?
Dicyclohexylborane 2-picoline has a molecular weight of 270.25 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Dicyclohexylborane 2-picoline is sourced from PubChem (CID 86634995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).