N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine

C24H34N2O — CID 66993616

About N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine

N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 66993616) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

• Compound Name: N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
• PubChem CID: 66993616
• Molecular Formula: C24H34N2O
• Molecular Weight: 366.55 g/mol
• Exact Mass: 366.27
• IUPAC Name: N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
• SMILES: C=C(C)CN(CC)Cc1c(OC)cc(-c2c(CC)cccc2CC)nc1C
• InChI: InChI=1S/C24H34N2O/c1-8-19-12-11-13-20(9-2)24(19)22-14-23(27-7)21(18(6)25-22)16-26(10-3)15-17(4)5/h11-14H,4,8-10,15-16H2,1-3,5-7H3
• InChIKey: RZGYBIOTHRCQNJ-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 25.36 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.55
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?

The IUPAC name of N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine (CID 66993616) is N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine.

What is the SMILES notation for N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?

The canonical SMILES for N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)CN(CC)Cc1c(OC)cc(-c2c(CC)cccc2CC)nc1C.

What is the InChIKey of N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?

The InChIKey is RZGYBIOTHRCQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-8-19-12-11-13-20(9-2)24(19)22-14-23(27-7)21(18(6)25-22)16-26(10-3)15-17(4)5/h11-14H,4,8-10,15-16H2,1-3,5-7H3.

What are the key properties of N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?

N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 366.55 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 66993616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).