N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine

C13H20N2O — CID 103987178

IUPACN-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
SMILESCCNC(CC1CCOC1)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-2-15-13(8-11-5-7-16-10-11)12-4-3-6-14-9-12/h3-4,6,9,11,13,15H,2,5,7-8,10H2,1H3
InChIKeyXLUWEZFZDUDTMU-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.16
Rot. Bonds5

About N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine

N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine (PubChem CID 103987178) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
PubChem CID103987178
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
SMILESCCNC(CC1CCOC1)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-2-15-13(8-11-5-7-16-10-11)12-4-3-6-14-9-12/h3-4,6,9,11,13,15H,2,5,7-8,10H2,1H3
InChIKeyXLUWEZFZDUDTMU-UHFFFAOYSA-N
XLogP2.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
3-[1-(ethylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine
CID 103987393
N-ethyl-1-naphthalen-2-yl-2-(oxolan-3-yl)ethanamine
CID 103987345
1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987271
N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923393
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987161
N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116545062
N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine
CID 103987406
1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea
CID 166181225
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362131
(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 97241292

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine?
The IUPAC name of N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine (CID 103987178) is N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine?
The canonical SMILES for N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine is CCNC(CC1CCOC1)c1cccnc1.
What is the InChIKey of N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine?
The InChIKey is XLUWEZFZDUDTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-15-13(8-11-5-7-16-10-11)12-4-3-6-14-9-12/h3-4,6,9,11,13,15H,2,5,7-8,10H2,1H3.
What are the key properties of N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine?
N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine has a molecular weight of 220.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 103987178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).