1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine

C16H28N2O2 — CID 103490442

IUPAC1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine
SMILESCCOCC(C)Oc1cc(CNC)cc(C(C)(C)C)n1
InChIInChI=1S/C16H28N2O2/c1-7-19-11-12(2)20-15-9-13(10-17-6)8-14(18-15)16(3,4)5/h8-9,12,17H,7,10-11H2,1-6H3
InChIKeyMLGDAMZFPGCRHH-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.90
Rot. Bonds7

About 1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine

1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine (PubChem CID 103490442) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine
PubChem CID103490442
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine
SMILESCCOCC(C)Oc1cc(CNC)cc(C(C)(C)C)n1
InChIInChI=1S/C16H28N2O2/c1-7-19-11-12(2)20-15-9-13(10-17-6)8-14(18-15)16(3,4)5/h8-9,12,17H,7,10-11H2,1-6H3
InChIKeyMLGDAMZFPGCRHH-UHFFFAOYSA-N
XLogP2.90
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine (CID 103490442) is 1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine is CCOCC(C)Oc1cc(CNC)cc(C(C)(C)C)n1.
What is the InChIKey of 1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is MLGDAMZFPGCRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-7-19-11-12(2)20-15-9-13(10-17-6)8-14(18-15)16(3,4)5/h8-9,12,17H,7,10-11H2,1-6H3.
What are the key properties of 1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine?
1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 280.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 103490442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).