N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine

C15H24N2O — CID 114157939

IUPACN-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(CC)nc(OCCC2CC2)c1
InChIInChI=1S/C15H24N2O/c1-3-14-9-13(11-16-4-2)10-15(17-14)18-8-7-12-5-6-12/h9-10,12,16H,3-8,11H2,1-2H3
InChIKeyVXAFOPUHQJOIMI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.93
Rot. Bonds8

About N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine

N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine (PubChem CID 114157939) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine
PubChem CID114157939
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(CC)nc(OCCC2CC2)c1
InChIInChI=1S/C15H24N2O/c1-3-14-9-13(11-16-4-2)10-15(17-14)18-8-7-12-5-6-12/h9-10,12,16H,3-8,11H2,1-2H3
InChIKeyVXAFOPUHQJOIMI-UHFFFAOYSA-N
XLogP2.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine (CID 114157939) is N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine is CCNCc1cc(CC)nc(OCCC2CC2)c1.
What is the InChIKey of N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine?
The InChIKey is VXAFOPUHQJOIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-14-9-13(11-16-4-2)10-15(17-14)18-8-7-12-5-6-12/h9-10,12,16H,3-8,11H2,1-2H3.
What are the key properties of N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine?
N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114157939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).