N-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine

C14H24N2O2 — CID 103490337

IUPACN-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(OC(C)COCC)c1
InChIInChI=1S/C14H24N2O2/c1-5-15-9-13-7-11(3)16-14(8-13)18-12(4)10-17-6-2/h7-8,12,15H,5-6,9-10H2,1-4H3
InChIKeyIIHXSLKXWVKACM-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.30
Rot. Bonds8

About N-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine

N-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine (PubChem CID 103490337) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine
PubChem CID103490337
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(OC(C)COCC)c1
InChIInChI=1S/C14H24N2O2/c1-5-15-9-13-7-11(3)16-14(8-13)18-12(4)10-17-6-2/h7-8,12,15H,5-6,9-10H2,1-4H3
InChIKeyIIHXSLKXWVKACM-UHFFFAOYSA-N
XLogP2.30
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine (CID 103490337) is N-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine is CCNCc1cc(C)nc(OC(C)COCC)c1.
What is the InChIKey of N-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine?
The InChIKey is IIHXSLKXWVKACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-15-9-13-7-11(3)16-14(8-13)18-12(4)10-17-6-2/h7-8,12,15H,5-6,9-10H2,1-4H3.
What are the key properties of N-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine?
N-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine has a molecular weight of 252.36 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 103490337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).