2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine

C17H28N2O — CID 79747758

IUPAC2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
SMILESCCCNC(C(C)OCC)C1CCCc2cccnc21
InChIInChI=1S/C17H28N2O/c1-4-11-18-16(13(3)20-5-2)15-10-6-8-14-9-7-12-19-17(14)15/h7,9,12-13,15-16,18H,4-6,8,10-11H2,1-3H3
InChIKeyRSSVHONPEYZIAF-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.29
Rot. Bonds7

About 2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine

2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine (PubChem CID 79747758) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
PubChem CID79747758
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
SMILESCCCNC(C(C)OCC)C1CCCc2cccnc21
InChIInChI=1S/C17H28N2O/c1-4-11-18-16(13(3)20-5-2)15-10-6-8-14-9-7-12-19-17(14)15/h7,9,12-13,15-16,18H,4-6,8,10-11H2,1-3H3
InChIKeyRSSVHONPEYZIAF-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-propylpropan-1-amine
CID 79747833
N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine
CID 116723952
3-methoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748513
N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748838
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
[2-ethoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butyl]hydrazine
CID 105273848
2-methoxy-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-1-amine
CID 116718864
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine
CID 79748328
N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine
CID 106692530
1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79748417
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine?
The IUPAC name of 2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine (CID 79747758) is 2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine?
The canonical SMILES for 2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine is CCCNC(C(C)OCC)C1CCCc2cccnc21.
What is the InChIKey of 2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine?
The InChIKey is RSSVHONPEYZIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-11-18-16(13(3)20-5-2)15-10-6-8-14-9-7-12-19-17(14)15/h7,9,12-13,15-16,18H,4-6,8,10-11H2,1-3H3.
What are the key properties of 2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine?
2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine is sourced from PubChem (CID 79747758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).