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

C16H31NO — CID 20543108

IUPAC2-(2,4-diethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol
SMILESCCC1CC(C)(CC)N(CCO)C2CCCCC12
InChIInChI=1S/C16H31NO/c1-4-13-12-16(3,5-2)17(10-11-18)15-9-7-6-8-14(13)15/h13-15,18H,4-12H2,1-3H3
InChIKeyCTHDYVYMPDEAMJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds4

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

2-(2,4-diethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol (PubChem CID 20543108) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-(2,4-diethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-diethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol
PubChem CID20543108
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-(2,4-diethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol
SMILESCCC1CC(C)(CC)N(CCO)C2CCCCC12
InChIInChI=1S/C16H31NO/c1-4-13-12-16(3,5-2)17(10-11-18)15-9-7-6-8-14(13)15/h13-15,18H,4-12H2,1-3H3
InChIKeyCTHDYVYMPDEAMJ-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
The IUPAC name of 2-(2,4-diethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol (CID 20543108) is 2-(2,4-diethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol.
What is the SMILES notation for 2-(2,4-diethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
The canonical SMILES for 2-(2,4-diethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol is CCC1CC(C)(CC)N(CCO)C2CCCCC12.
What is the InChIKey of 2-(2,4-diethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
The InChIKey is CTHDYVYMPDEAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-13-12-16(3,5-2)17(10-11-18)15-9-7-6-8-14(13)15/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 2-(2,4-diethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
2-(2,4-diethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol is sourced from PubChem (CID 20543108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).