(2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine

C20H27N — CID 7707970

IUPAC(2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine
SMILESC=C(C)C[C@H]1CC=C[C@@H](CC(=C)C)N1Cc1ccccc1
InChIInChI=1S/C20H27N/c1-16(2)13-19-11-8-12-20(14-17(3)4)21(19)15-18-9-6-5-7-10-18/h5-11,19-20H,1,3,12-15H2,2,4H3/t19-,20+/m0/s1
InChIKeyPNNDPZUDECWKOK-VQTJNVASSA-N
MW281.44 g/mol
LogP5.12
Rot. Bonds6

About (2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine

(2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine (PubChem CID 7707970) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is (2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name(2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine
PubChem CID7707970
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name(2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine
SMILESC=C(C)C[C@H]1CC=C[C@@H](CC(=C)C)N1Cc1ccccc1
InChIInChI=1S/C20H27N/c1-16(2)13-19-11-8-12-20(14-17(3)4)21(19)15-18-9-6-5-7-10-18/h5-11,19-20H,1,3,12-15H2,2,4H3/t19-,20+/m0/s1
InChIKeyPNNDPZUDECWKOK-VQTJNVASSA-N
XLogP5.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol
CID 10800409
2-cyclobut-2-en-1-ylprop-2-enylbenzene
CID 11240731
(1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol
CID 10550650
9-benzyl-7-(2-methylprop-2-enyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171975062
(2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
CID 144920787
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylprop-2-en-1-one
CID 171938910
(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol
CID 135137500
[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
CID 59404485
4-benzyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide
CID 3449075
8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
CID 85186782
(2S,3S,4S,5S)-1-hydroxy-2-(2-methylprop-2-enyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 122363134
[(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol
CID 163511125

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of (2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine (CID 7707970) is (2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for (2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for (2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine is C=C(C)C[C@H]1CC=C[C@@H](CC(=C)C)N1Cc1ccccc1.
What is the InChIKey of (2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine?
The InChIKey is PNNDPZUDECWKOK-VQTJNVASSA-N. The full InChI is InChI=1S/C20H27N/c1-16(2)13-19-11-8-12-20(14-17(3)4)21(19)15-18-9-6-5-7-10-18/h5-11,19-20H,1,3,12-15H2,2,4H3/t19-,20+/m0/s1.
What are the key properties of (2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine?
(2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine has a molecular weight of 281.44 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 7707970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).