[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane

C15H24BN — CID 15338785

IUPAC[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane
SMILESC=CCB(CC=C)N1[C@H](CC=C)CC=C[C@H]1C
InChIInChI=1S/C15H24BN/c1-5-9-15-11-8-10-14(4)17(15)16(12-6-2)13-7-3/h5-8,10,14-15H,1-3,9,11-13H2,4H3/t14-,15-/m1/s1
InChIKeyYFGYJIJWQUJCSN-HUUCEWRRSA-N
MW229.18 g/mol
LogP3.94
Rot. Bonds7

About [(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane

[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane (PubChem CID 15338785) has the molecular formula C15H24BN and a molecular weight of 229.18 g/mol. Its IUPAC name is [(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane.

Molecular Properties

Compound Name[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane
PubChem CID15338785
Molecular FormulaC15H24BN
Molecular Weight229.18 g/mol
Exact Mass229.20
IUPAC Name[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane
SMILESC=CCB(CC=C)N1[C@H](CC=C)CC=C[C@H]1C
InChIInChI=1S/C15H24BN/c1-5-9-15-11-8-10-14(4)17(15)16(12-6-2)13-7-3/h5-8,10,14-15H,1-3,9,11-13H2,4H3/t14-,15-/m1/s1
InChIKeyYFGYJIJWQUJCSN-HUUCEWRRSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane?
The IUPAC name of [(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane (CID 15338785) is [(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane.
What is the SMILES notation for [(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane?
The canonical SMILES for [(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane is C=CCB(CC=C)N1[C@H](CC=C)CC=C[C@H]1C.
What is the InChIKey of [(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane?
The InChIKey is YFGYJIJWQUJCSN-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H24BN/c1-5-9-15-11-8-10-14(4)17(15)16(12-6-2)13-7-3/h5-8,10,14-15H,1-3,9,11-13H2,4H3/t14-,15-/m1/s1.
What are the key properties of [(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane?
[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane has a molecular weight of 229.18 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-bis(prop-2-enyl)borane is sourced from PubChem (CID 15338785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).