6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate

C36H60N4O8 — CID 163299840

About 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate

6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate (PubChem CID 163299840) has the molecular formula C36H60N4O8 and a molecular weight of 676.90 g/mol. Its IUPAC name is 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate
• PubChem CID: 163299840
• Molecular Formula: C36H60N4O8
• Molecular Weight: 676.90 g/mol
• Exact Mass: 676.44
• IUPAC Name: 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate
• SMILES: CCCN(CCOC)Cc1cccc(C(=O)OC)n1.COC.O=Cc1cccc(CN(CCOCCCO)CCOCCC2CCC2)n1
• InChI: InChI=1S/C20H32N2O4.C14H22N2O3.C2H6O/c23-11-3-12-25-14-9-22(10-15-26-13-8-18-4-1-5-18)16-19-6-2-7-20(17-24)21-19;1-4-8-16(9-10-18-2)11-12-6-5-7-13(15-12)14(17)19-3;1-3-2/h2,6-7,17-18,23H,1,3-5,8-16H2;5-7H,4,8-11H2,1-3H3;1-2H3
• InChIKey: IZFUPDMQCDVBAU-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 132.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.90
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate?

The IUPAC name of 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate (CID 163299840) is 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate.

What is the SMILES notation for 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate?

The canonical SMILES for 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate is CCCN(CCOC)Cc1cccc(C(=O)OC)n1.COC.O=Cc1cccc(CN(CCOCCCO)CCOCCC2CCC2)n1.

What is the InChIKey of 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate?

The InChIKey is IZFUPDMQCDVBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4.C14H22N2O3.C2H6O/c23-11-3-12-25-14-9-22(10-15-26-13-8-18-4-1-5-18)16-19-6-2-7-20(17-24)21-19;1-4-8-16(9-10-18-2)11-12-6-5-7-13(15-12)14(17)19-3;1-3-2/h2,6-7,17-18,23H,1,3-5,8-16H2;5-7H,4,8-11H2,1-3H3;1-2H3.

What are the key properties of 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate?

6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate has a molecular weight of 676.90 g/mol, XLogP of 4.29, 23 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 163299840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).