N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine

C18H22N2O — CID 81228399

IUPACN-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine
SMILESCCNC(c1cccc2cccnc12)C1CC2CCC1O2
InChIInChI=1S/C18H22N2O/c1-2-19-18(15-11-13-8-9-16(15)21-13)14-7-3-5-12-6-4-10-20-17(12)14/h3-7,10,13,15-16,18-19H,2,8-9,11H2,1H3
InChIKeyONZZAHXPPZXVKO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.45
Rot. Bonds4

About N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine

N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine (PubChem CID 81228399) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine
PubChem CID81228399
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine
SMILESCCNC(c1cccc2cccnc12)C1CC2CCC1O2
InChIInChI=1S/C18H22N2O/c1-2-19-18(15-11-13-8-9-16(15)21-13)14-7-3-5-12-6-4-10-20-17(12)14/h3-7,10,13,15-16,18-19H,2,8-9,11H2,1H3
InChIKeyONZZAHXPPZXVKO-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine
CID 81228401
N-[6-bicyclo[3.1.0]hexanyl(quinolin-8-yl)methyl]ethanamine
CID 105021311
N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine
CID 105021388
N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 114745396
N-[(4-methylmorpholin-2-yl)-quinolin-8-ylmethyl]ethanamine
CID 81229496
N-[(4-bromo-3-chloro-2-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 106762534
1-cyclopropyl-N-methyl-1-quinolin-8-ylmethanamine
CID 81220023
N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine
CID 113446951
N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 114728732
1-cyclopentyl-N-methyl-1-quinolin-8-ylmethanamine
CID 81231662
N-ethyl-2,2-dimethyl-1-quinolin-8-ylbutan-1-amine
CID 105021242
7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine
CID 81231468

Frequently Asked Questions

What is the IUPAC name of N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine?
The IUPAC name of N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine (CID 81228399) is N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine.
What is the SMILES notation for N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine?
The canonical SMILES for N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine is CCNC(c1cccc2cccnc12)C1CC2CCC1O2.
What is the InChIKey of N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine?
The InChIKey is ONZZAHXPPZXVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-19-18(15-11-13-8-9-16(15)21-13)14-7-3-5-12-6-4-10-20-17(12)14/h3-7,10,13,15-16,18-19H,2,8-9,11H2,1H3.
What are the key properties of N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine?
N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine is sourced from PubChem (CID 81228399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).