N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine

C18H24N2O — CID 81229913

IUPACN-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine
SMILESCCNC(c1cccc2cccnc12)C1(C)CCCCO1
InChIInChI=1S/C18H24N2O/c1-3-19-17(18(2)11-4-5-13-21-18)15-10-6-8-14-9-7-12-20-16(14)15/h6-10,12,17,19H,3-5,11,13H2,1-2H3
InChIKeyZPSJNSBGOHTRIS-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.84
Rot. Bonds4

About N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine

N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine (PubChem CID 81229913) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine
PubChem CID81229913
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine
SMILESCCNC(c1cccc2cccnc12)C1(C)CCCCO1
InChIInChI=1S/C18H24N2O/c1-3-19-17(18(2)11-4-5-13-21-18)15-10-6-8-14-9-7-12-20-16(14)15/h6-10,12,17,19H,3-5,11,13H2,1-2H3
InChIKeyZPSJNSBGOHTRIS-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine
CID 81224497
N-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine
CID 114745944
1-(1-ethylcyclopentyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105021283
N-[(2-methyloxan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102708424
N-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine
CID 80683646
N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine
CID 105163061
N-[6-bicyclo[3.1.0]hexanyl(quinolin-8-yl)methyl]ethanamine
CID 105021311
N-ethyl-2,2-dimethyl-1-quinolin-8-ylbutan-1-amine
CID 105021242
N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830050
N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 81153718
N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine
CID 105179292
N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine
CID 105021278

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine?
The IUPAC name of N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine (CID 81229913) is N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine is CCNC(c1cccc2cccnc12)C1(C)CCCCO1.
What is the InChIKey of N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine?
The InChIKey is ZPSJNSBGOHTRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-19-17(18(2)11-4-5-13-21-18)15-10-6-8-14-9-7-12-20-16(14)15/h6-10,12,17,19H,3-5,11,13H2,1-2H3.
What are the key properties of N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine?
N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine is sourced from PubChem (CID 81229913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).