N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine

C16H20N2S — CID 79745697

IUPACN-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccs1)C1CCCc2cccnc21
InChIInChI=1S/C16H20N2S/c1-2-17-16(14-9-5-11-19-14)13-8-3-6-12-7-4-10-18-15(12)13/h4-5,7,9-11,13,16-17H,2-3,6,8H2,1H3
InChIKeyZQEUPBVNWINEPI-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.91
Rot. Bonds4

About N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine

N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine (PubChem CID 79745697) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine
PubChem CID79745697
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccs1)C1CCCc2cccnc21
InChIInChI=1S/C16H20N2S/c1-2-17-16(14-9-5-11-19-14)13-8-3-6-12-7-4-10-18-15(12)13/h4-5,7,9-11,13,16-17H,2-3,6,8H2,1H3
InChIKeyZQEUPBVNWINEPI-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007293
N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine
CID 105164757
N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007431
N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105164741
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007315
N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine
CID 79738096
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105166089
N-methyl-1-(3-methylthiophen-2-yl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007432
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923636
N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007360
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 N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine (CID 79745697) is N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine is CCNC(c1cccs1)C1CCCc2cccnc21.
What is the InChIKey of N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine?
The InChIKey is ZQEUPBVNWINEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-17-16(14-9-5-11-19-14)13-8-3-6-12-7-4-10-18-15(12)13/h4-5,7,9-11,13,16-17H,2-3,6,8H2,1H3.
What are the key properties of N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine?
N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 79745697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).