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

C15H29NO — CID 20543057

IUPAC2-(2,2,4,6-tetramethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol
SMILESCC1CCC2C(C1)C(C)CC(C)(C)N2CCO
InChIInChI=1S/C15H29NO/c1-11-5-6-14-13(9-11)12(2)10-15(3,4)16(14)7-8-17/h11-14,17H,5-10H2,1-4H3
InChIKeyZZZUGGHPDYLOLH-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.90
Rot. Bonds2

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

2-(2,2,4,6-tetramethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol (PubChem CID 20543057) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-(2,2,4,6-tetramethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,2,4,6-tetramethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol
PubChem CID20543057
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-(2,2,4,6-tetramethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol
SMILESCC1CCC2C(C1)C(C)CC(C)(C)N2CCO
InChIInChI=1S/C15H29NO/c1-11-5-6-14-13(9-11)12(2)10-15(3,4)16(14)7-8-17/h11-14,17H,5-10H2,1-4H3
InChIKeyZZZUGGHPDYLOLH-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4,6-tetramethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
The IUPAC name of 2-(2,2,4,6-tetramethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol (CID 20543057) is 2-(2,2,4,6-tetramethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol.
What is the SMILES notation for 2-(2,2,4,6-tetramethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
The canonical SMILES for 2-(2,2,4,6-tetramethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol is CC1CCC2C(C1)C(C)CC(C)(C)N2CCO.
What is the InChIKey of 2-(2,2,4,6-tetramethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
The InChIKey is ZZZUGGHPDYLOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11-5-6-14-13(9-11)12(2)10-15(3,4)16(14)7-8-17/h11-14,17H,5-10H2,1-4H3.
What are the key properties of 2-(2,2,4,6-tetramethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
2-(2,2,4,6-tetramethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol has a molecular weight of 239.40 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4,6-tetramethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol is sourced from PubChem (CID 20543057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).