N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine

C17H22N2O — CID 105379792

IUPACN-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1CCOC1c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H22N2O/c1-3-18-11-15-8-9-20-17(15)14-6-7-16-13(10-14)5-4-12(2)19-16/h4-7,10,15,17-18H,3,8-9,11H2,1-2H3
InChIKeyCCLUOUYRZQMRCK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.23
Rot. Bonds4

About N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine

N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine (PubChem CID 105379792) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine
PubChem CID105379792
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1CCOC1c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H22N2O/c1-3-18-11-15-8-9-20-17(15)14-6-7-16-13(10-14)5-4-12(2)19-16/h4-7,10,15,17-18H,3,8-9,11H2,1-2H3
InChIKeyCCLUOUYRZQMRCK-UHFFFAOYSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine (CID 105379792) is N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine is CCNCC1CCOC1c1ccc2nc(C)ccc2c1.
What is the InChIKey of N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is CCLUOUYRZQMRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-18-11-15-8-9-20-17(15)14-6-7-16-13(10-14)5-4-12(2)19-16/h4-7,10,15,17-18H,3,8-9,11H2,1-2H3.
What are the key properties of N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine?
N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 105379792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).