2-[2-[(4,6-dimethyl-2-pyridinyl)-hexylamino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

C28H42N2O2 — CID 19023967

About 2-[2-[(4,6-dimethyl-2-pyridinyl)-hexylamino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

2-[2-[(4,6-dimethyl-2-pyridinyl)-hexylamino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 19023967) has the molecular formula C28H42N2O2 and a molecular weight of 438.66 g/mol. Its IUPAC name is 2-[2-[(4,6-dimethyl-2-pyridinyl)-hexylamino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

• Compound Name: 2-[2-[(4,6-dimethyl-2-pyridinyl)-hexylamino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
• PubChem CID: 19023967
• Molecular Formula: C28H42N2O2
• Molecular Weight: 438.66 g/mol
• Exact Mass: 438.32
• IUPAC Name: 2-[2-[(4,6-dimethyl-2-pyridinyl)-hexylamino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
• SMILES: CCCCCCN(CCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1)c1cc(C)cc(C)n1
• InChI: InChI=1S/C28H42N2O2/c1-8-9-10-11-15-30(25-18-19(2)17-20(3)29-25)16-14-28(7)13-12-24-23(6)26(31)21(4)22(5)27(24)32-28/h17-18,31H,8-16H2,1-7H3
• InChIKey: LAGCEBATKFEBGT-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 45.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.66
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,6-dimethyl-2-pyridinyl)-hexylamino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?

The IUPAC name of 2-[2-[(4,6-dimethyl-2-pyridinyl)-hexylamino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 19023967) is 2-[2-[(4,6-dimethyl-2-pyridinyl)-hexylamino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

What is the SMILES notation for 2-[2-[(4,6-dimethyl-2-pyridinyl)-hexylamino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?

The canonical SMILES for 2-[2-[(4,6-dimethyl-2-pyridinyl)-hexylamino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is CCCCCCN(CCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1)c1cc(C)cc(C)n1.

What is the InChIKey of 2-[2-[(4,6-dimethyl-2-pyridinyl)-hexylamino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?

The InChIKey is LAGCEBATKFEBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O2/c1-8-9-10-11-15-30(25-18-19(2)17-20(3)29-25)16-14-28(7)13-12-24-23(6)26(31)21(4)22(5)27(24)32-28/h17-18,31H,8-16H2,1-7H3.

What are the key properties of 2-[2-[(4,6-dimethyl-2-pyridinyl)-hexylamino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?

2-[2-[(4,6-dimethyl-2-pyridinyl)-hexylamino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 438.66 g/mol, XLogP of 6.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(4,6-dimethyl-2-pyridinyl)-hexylamino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 19023967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).