2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol

C15H25NO — CID 23853621

IUPAC2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESC=C(C)CC1C=CCC(CC(=C)C)N1CCO
InChIInChI=1S/C15H25NO/c1-12(2)10-14-6-5-7-15(11-13(3)4)16(14)8-9-17/h5-6,14-15,17H,1,3,7-11H2,2,4H3
InChIKeyIVXINRRYVFFQLP-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.91
Rot. Bonds6

About 2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol

2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol (PubChem CID 23853621) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
PubChem CID23853621
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESC=C(C)CC1C=CCC(CC(=C)C)N1CCO
InChIInChI=1S/C15H25NO/c1-12(2)10-14-6-5-7-15(11-13(3)4)16(14)8-9-17/h5-6,14-15,17H,1,3,7-11H2,2,4H3
InChIKeyIVXINRRYVFFQLP-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The IUPAC name of 2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol (CID 23853621) is 2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol.
What is the SMILES notation for 2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The canonical SMILES for 2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol is C=C(C)CC1C=CCC(CC(=C)C)N1CCO.
What is the InChIKey of 2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The InChIKey is IVXINRRYVFFQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)10-14-6-5-7-15(11-13(3)4)16(14)8-9-17/h5-6,14-15,17H,1,3,7-11H2,2,4H3.
What are the key properties of 2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol has a molecular weight of 235.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol is sourced from PubChem (CID 23853621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).