2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol

C24H47NO — CID 20543074

IUPAC2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol
SMILESCCCCCCC1CC(C)(CCCCCC)N(CCO)C2CCCCC12
InChIInChI=1S/C24H47NO/c1-4-6-8-10-14-21-20-24(3,17-13-9-7-5-2)25(18-19-26)23-16-12-11-15-22(21)23/h21-23,26H,4-20H2,1-3H3
InChIKeyZIKFAEABNSYHLD-UHFFFAOYSA-N
MW365.65 g/mol
LogP6.56
Rot. Bonds12

About 2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol

2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol (PubChem CID 20543074) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is 2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol
PubChem CID20543074
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Name2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol
SMILESCCCCCCC1CC(C)(CCCCCC)N(CCO)C2CCCCC12
InChIInChI=1S/C24H47NO/c1-4-6-8-10-14-21-20-24(3,17-13-9-7-5-2)25(18-19-26)23-16-12-11-15-22(21)23/h21-23,26H,4-20H2,1-3H3
InChIKeyZIKFAEABNSYHLD-UHFFFAOYSA-N
XLogP6.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
The IUPAC name of 2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol (CID 20543074) is 2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol.
What is the SMILES notation for 2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
The canonical SMILES for 2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol is CCCCCCC1CC(C)(CCCCCC)N(CCO)C2CCCCC12.
What is the InChIKey of 2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
The InChIKey is ZIKFAEABNSYHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO/c1-4-6-8-10-14-21-20-24(3,17-13-9-7-5-2)25(18-19-26)23-16-12-11-15-22(21)23/h21-23,26H,4-20H2,1-3H3.
What are the key properties of 2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol has a molecular weight of 365.65 g/mol, XLogP of 6.56, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihexyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol is sourced from PubChem (CID 20543074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).