N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine

C17H22N2O — CID 105021388

IUPACN-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine
SMILESCCNC(c1cccc2cccnc12)C1COC(C)C1
InChIInChI=1S/C17H22N2O/c1-3-18-17(14-10-12(2)20-11-14)15-8-4-6-13-7-5-9-19-16(13)15/h4-9,12,14,17-18H,3,10-11H2,1-2H3
InChIKeyPYESBBKNFBOIFE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.31
Rot. Bonds4

About N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine

N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine (PubChem CID 105021388) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine
PubChem CID105021388
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine
SMILESCCNC(c1cccc2cccnc12)C1COC(C)C1
InChIInChI=1S/C17H22N2O/c1-3-18-17(14-10-12(2)20-11-14)15-8-4-6-13-7-5-9-19-16(13)15/h4-9,12,14,17-18H,3,10-11H2,1-2H3
InChIKeyPYESBBKNFBOIFE-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine
CID 105022130
N-[6-bicyclo[3.1.0]hexanyl(quinolin-8-yl)methyl]ethanamine
CID 105021311
N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine
CID 81228399
N-[(4-methylmorpholin-2-yl)-quinolin-8-ylmethyl]ethanamine
CID 81229496
N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 114825057
N-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 114825204
1-cyclopropyl-N-methyl-1-quinolin-8-ylmethanamine
CID 81220023
(3,5-dimethylcyclohexyl)-quinolin-8-ylmethanamine
CID 105154267
1-cyclopentyl-N-methyl-1-quinolin-8-ylmethanamine
CID 81231662
N-ethyl-2,2-dimethyl-1-quinolin-8-ylbutan-1-amine
CID 105021242
N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105154308
N-[(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 114825345

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine?
The IUPAC name of N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine (CID 105021388) is N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine is CCNC(c1cccc2cccnc12)C1COC(C)C1.
What is the InChIKey of N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine?
The InChIKey is PYESBBKNFBOIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-18-17(14-10-12(2)20-11-14)15-8-4-6-13-7-5-9-19-16(13)15/h4-9,12,14,17-18H,3,10-11H2,1-2H3.
What are the key properties of N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine?
N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine is sourced from PubChem (CID 105021388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).