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

C17H26N2O — CID 105007360

IUPACN-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
SMILESCCNC(C1CCCCO1)C1CCCc2cccnc21
InChIInChI=1S/C17H26N2O/c1-2-18-17(15-10-3-4-12-20-15)14-9-5-7-13-8-6-11-19-16(13)14/h6,8,11,14-15,17-18H,2-5,7,9-10,12H2,1H3
InChIKeyXFXWISNSSFDASM-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.05
Rot. Bonds4

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

N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine (PubChem CID 105007360) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
PubChem CID105007360
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
SMILESCCNC(C1CCCCO1)C1CCCc2cccnc21
InChIInChI=1S/C17H26N2O/c1-2-18-17(15-10-3-4-12-20-15)14-9-5-7-13-8-6-11-19-16(13)14/h6,8,11,14-15,17-18H,2-5,7,9-10,12H2,1H3
InChIKeyXFXWISNSSFDASM-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[cyclopentyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79748352
oxolan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79745835
N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine
CID 79738096
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007431
N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine
CID 79745697
N-[1-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079721
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine
CID 79740041
N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79960772
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 105009645
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748838

Frequently Asked Questions

What is the IUPAC name of N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
The IUPAC name of N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine (CID 105007360) is N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine.
What is the SMILES notation for N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
The canonical SMILES for N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine is CCNC(C1CCCCO1)C1CCCc2cccnc21.
What is the InChIKey of N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
The InChIKey is XFXWISNSSFDASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-18-17(15-10-3-4-12-20-15)14-9-5-7-13-8-6-11-19-16(13)14/h6,8,11,14-15,17-18H,2-5,7,9-10,12H2,1H3.
What are the key properties of N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine is sourced from PubChem (CID 105007360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).