N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine

C18H22N2O — CID 81228401

IUPACN-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine
SMILESCCNC(c1ccc2ncccc2c1)C1CC2CCC1O2
InChIInChI=1S/C18H22N2O/c1-2-19-18(15-11-14-6-8-17(15)21-14)13-5-7-16-12(10-13)4-3-9-20-16/h3-5,7,9-10,14-15,17-19H,2,6,8,11H2,1H3
InChIKeyYVOUEEGYORZNHJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.45
Rot. Bonds4

About N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine

N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine (PubChem CID 81228401) 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-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine
PubChem CID81228401
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine
SMILESCCNC(c1ccc2ncccc2c1)C1CC2CCC1O2
InChIInChI=1S/C18H22N2O/c1-2-19-18(15-11-14-6-8-17(15)21-14)13-5-7-16-12(10-13)4-3-9-20-16/h3-5,7,9-10,14-15,17-19H,2,6,8,11H2,1H3
InChIKeyYVOUEEGYORZNHJ-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-8-yl)methyl]ethanamine
CID 81228399
N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine
CID 81231200
N-[(2-methylcyclopropyl)-quinolin-7-ylmethyl]ethanamine
CID 81231204
N-[(4-methylmorpholin-2-yl)-quinolin-6-ylmethyl]ethanamine
CID 81229498
N-[cyclohexyl(quinolin-6-yl)methyl]propan-1-amine
CID 63095807
N-ethyl-2,2-dimethoxy-1-quinolin-6-ylethanamine
CID 81232075
N-[(3-methylcyclopentyl)-quinolin-7-ylmethyl]ethanamine
CID 81231066
N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 63963933
N-[(1-methylcyclopentyl)-quinolin-6-ylmethyl]ethanamine
CID 105021107
N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine
CID 105021031
N-[2,3-dihydrofuran-5-yl(quinolin-6-yl)methyl]ethanamine
CID 102651527
N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 114728732

Frequently Asked Questions

What is the IUPAC name of N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine?
The IUPAC name of N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine (CID 81228401) is N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine?
The canonical SMILES for N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine is CCNC(c1ccc2ncccc2c1)C1CC2CCC1O2.
What is the InChIKey of N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine?
The InChIKey is YVOUEEGYORZNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-19-18(15-11-14-6-8-17(15)21-14)13-5-7-16-12(10-13)4-3-9-20-16/h3-5,7,9-10,14-15,17-19H,2,6,8,11H2,1H3.
What are the key properties of N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine?
N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-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-6-yl)methyl]ethanamine is sourced from PubChem (CID 81228401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).