N-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine

C15H24N2O — CID 66448341

IUPACN-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine
SMILESCCNC(C1CCCOC1)C(C)c1ccncc1
InChIInChI=1S/C15H24N2O/c1-3-17-15(14-5-4-10-18-11-14)12(2)13-6-8-16-9-7-13/h6-9,12,14-15,17H,3-5,10-11H2,1-2H3
InChIKeyLIJPBGZKSFJDQE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.59
Rot. Bonds5

About N-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine

N-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine (PubChem CID 66448341) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine
PubChem CID66448341
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine
SMILESCCNC(C1CCCOC1)C(C)c1ccncc1
InChIInChI=1S/C15H24N2O/c1-3-17-15(14-5-4-10-18-11-14)12(2)13-6-8-16-9-7-13/h6-9,12,14-15,17H,3-5,10-11H2,1-2H3
InChIKeyLIJPBGZKSFJDQE-UHFFFAOYSA-N
XLogP2.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine (CID 66448341) is N-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine is CCNC(C1CCCOC1)C(C)c1ccncc1.
What is the InChIKey of N-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine?
The InChIKey is LIJPBGZKSFJDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-17-15(14-5-4-10-18-11-14)12(2)13-6-8-16-9-7-13/h6-9,12,14-15,17H,3-5,10-11H2,1-2H3.
What are the key properties of N-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine?
N-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66448341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).