2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine

C17H28N2O — CID 116759628

IUPAC2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
SMILESCCOC(CC)(CC)C(N)C1CCCc2cccnc21
InChIInChI=1S/C17H28N2O/c1-4-17(5-2,20-6-3)16(18)14-11-7-9-13-10-8-12-19-15(13)14/h8,10,12,14,16H,4-7,9,11,18H2,1-3H3
InChIKeyLJMUISHYLWQSSO-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.42
Rot. Bonds6

About 2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine

2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine (PubChem CID 116759628) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
PubChem CID116759628
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
SMILESCCOC(CC)(CC)C(N)C1CCCc2cccnc21
InChIInChI=1S/C17H28N2O/c1-4-17(5-2,20-6-3)16(18)14-11-7-9-13-10-8-12-19-15(13)14/h8,10,12,14,16H,4-7,9,11,18H2,1-3H3
InChIKeyLJMUISHYLWQSSO-UHFFFAOYSA-N
XLogP3.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79739946
1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79748417
(1-ethoxycyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 116763627
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-amine
CID 105007437
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 81021345
(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79731976
[2-ethoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butyl]hydrazine
CID 105273848
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105007390
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine (CID 116759628) is 2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine is CCOC(CC)(CC)C(N)C1CCCc2cccnc21.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine?
The InChIKey is LJMUISHYLWQSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-17(5-2,20-6-3)16(18)14-11-7-9-13-10-8-12-19-15(13)14/h8,10,12,14,16H,4-7,9,11,18H2,1-3H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine?
2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine is sourced from PubChem (CID 116759628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).