N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine

C15H22N2O — CID 113446951

IUPACN-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)C1CC2CCC1O2
InChIInChI=1S/C15H22N2O/c1-2-17-14(8-11-4-3-7-16-10-11)13-9-12-5-6-15(13)18-12/h3-4,7,10,12-15,17H,2,5-6,8-9H2,1H3
InChIKeySCSPFWCLOVXFNH-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.17
Rot. Bonds5

About N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine

N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine (PubChem CID 113446951) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine
PubChem CID113446951
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)C1CC2CCC1O2
InChIInChI=1S/C15H22N2O/c1-2-17-14(8-11-4-3-7-16-10-11)13-9-12-5-6-15(13)18-12/h3-4,7,10,12-15,17H,2,5-6,8-9H2,1H3
InChIKeySCSPFWCLOVXFNH-UHFFFAOYSA-N
XLogP2.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(5-methyloxolan-2-yl)-2-pyridin-3-ylethanamine
CID 105034589
N-ethyl-1-(2-ethylcyclohexyl)-2-pyridin-3-ylethanamine
CID 63861666
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 104802183
N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79751721
N-ethyl-1-(4-ethylcyclohexyl)-2-pyridin-3-ylethanamine
CID 64776867
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 115983778
1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104736394
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107049276
1-(2,3-dihydro-1-benzofuran-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104736733
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79825572
N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine
CID 81228399
N-ethyl-1-(4-propan-2-ylmorpholin-2-yl)-2-pyridin-3-ylethanamine
CID 104736588

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine?
The IUPAC name of N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine (CID 113446951) is N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine?
The canonical SMILES for N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine is CCNC(Cc1cccnc1)C1CC2CCC1O2.
What is the InChIKey of N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine?
The InChIKey is SCSPFWCLOVXFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-17-14(8-11-4-3-7-16-10-11)13-9-12-5-6-15(13)18-12/h3-4,7,10,12-15,17H,2,5-6,8-9H2,1H3.
What are the key properties of N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine?
N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 113446951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).