(6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide

C27H48N2O — CID 70401961

About (6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide

(6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide (PubChem CID 70401961) has the molecular formula C27H48N2O and a molecular weight of 416.69 g/mol. Its IUPAC name is (6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide.

Molecular Properties

• Compound Name: (6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
• PubChem CID: 70401961
• Molecular Formula: C27H48N2O
• Molecular Weight: 416.69 g/mol
• Exact Mass: 416.38
• IUPAC Name: (6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
• SMILES: CCN1CCCC1CNC(=O)CC(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
• InChI: InChI=1S/C27H48N2O/c1-7-29-19-11-18-26(29)21-28-27(30)20-25(6)17-10-16-24(5)15-9-14-23(4)13-8-12-22(2)3/h12,14,16,25-26H,7-11,13,15,17-21H2,1-6H3,(H,28,30)/b23-14+,24-16+
• InChIKey: PIIWWHVYWCZFRC-XYVQYNESSA-N
• XLogP: 6.81
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.69
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?

The IUPAC name of (6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide (CID 70401961) is (6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide.

What is the SMILES notation for (6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?

The canonical SMILES for (6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide is CCN1CCCC1CNC(=O)CC(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.

What is the InChIKey of (6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?

The InChIKey is PIIWWHVYWCZFRC-XYVQYNESSA-N. The full InChI is InChI=1S/C27H48N2O/c1-7-29-19-11-18-26(29)21-28-27(30)20-25(6)17-10-16-24(5)15-9-14-23(4)13-8-12-22(2)3/h12,14,16,25-26H,7-11,13,15,17-21H2,1-6H3,(H,28,30)/b23-14+,24-16+.

What are the key properties of (6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?

(6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide has a molecular weight of 416.69 g/mol, XLogP of 6.81, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide is sourced from PubChem (CID 70401961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).