1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine

C13H20N2O — CID 104865520

IUPAC1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
SMILESCC(N[C@H](C)c1ccccn1)C1CCOC1
InChIInChI=1S/C13H20N2O/c1-10(12-6-8-16-9-12)15-11(2)13-5-3-4-7-14-13/h3-5,7,10-12,15H,6,8-9H2,1-2H3/t10?,11-,12?/m1/s1
InChIKeyARZPPTQXJPGTOA-MOENNCHZSA-N
MW220.32 g/mol
LogP2.16
Rot. Bonds4

About 1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine

1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine (PubChem CID 104865520) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
PubChem CID104865520
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
SMILESCC(N[C@H](C)c1ccccn1)C1CCOC1
InChIInChI=1S/C13H20N2O/c1-10(12-6-8-16-9-12)15-11(2)13-5-3-4-7-14-13/h3-5,7,10-12,15H,6,8-9H2,1-2H3/t10?,11-,12?/m1/s1
InChIKeyARZPPTQXJPGTOA-MOENNCHZSA-N
XLogP2.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine (CID 104865520) is 1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine is CC(N[C@H](C)c1ccccn1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine?
The InChIKey is ARZPPTQXJPGTOA-MOENNCHZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(12-6-8-16-9-12)15-11(2)13-5-3-4-7-14-13/h3-5,7,10-12,15H,6,8-9H2,1-2H3/t10?,11-,12?/m1/s1.
What are the key properties of 1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine?
1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine is sourced from PubChem (CID 104865520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).