tert-butyl 2-[2-[2-[2-[2-[2-[(4-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl 8-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methane

C65H111BrN6O20 — CID 158264755

About tert-butyl 2-[2-[2-[2-[2-[2-[(4-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl 8-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methane

tert-butyl 2-[2-[2-[2-[2-[2-[(4-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl 8-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methane (PubChem CID 158264755) has the molecular formula C65H111BrN6O20 and a molecular weight of 1376.53 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[2-[2-[2-[(4-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl 8-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methane.

Molecular Properties

• Compound Name: tert-butyl 2-[2-[2-[2-[2-[2-[(4-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl 8-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methane
• PubChem CID: 158264755
• Molecular Formula: C65H111BrN6O20
• Molecular Weight: 1376.53 g/mol
• Exact Mass: 1374.70
• IUPAC Name: tert-butyl 2-[2-[2-[2-[2-[2-[(4-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl 8-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methane
• SMILES: C.CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOc1cc(Br)ccn1.CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOc1cc(N2C3CCC2CN(C(=O)OC(C)(C)C)C3)ccn1.CC(C)(C)OC(=O)N1CC2CCC(C1)N2
• InChI: InChI=1S/C32H53N3O10.C21H34BrNO8.C11H20N2O2.CH4/c1-31(2,3)44-29(36)24-42-18-17-40-14-13-38-11-12-39-15-16-41-19-20-43-28-21-25(9-10-33-28)35-26-7-8-27(35)23-34(22-26)30(37)45-32(4,5)6;1-21(2,3)31-20(24)17-29-13-12-27-9-8-25-6-7-26-10-11-28-14-15-30-19-16-18(22)4-5-23-19;1-11(2,3)15-10(14)13-6-8-4-5-9(7-13)12-8;/h9-10,21,26-27H,7-8,11-20,22-24H2,1-6H3;4-5,16H,6-15,17H2,1-3H3;8-9,12H,4-7H2,1-3H3;1H4
• InChIKey: GIHLMRGGTCDMAY-UHFFFAOYSA-N
• XLogP: 8.11
• TPSA: 263.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1376.53
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[2-[2-[2-[(4-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl 8-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methane?

The IUPAC name of tert-butyl 2-[2-[2-[2-[2-[2-[(4-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl 8-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methane (CID 158264755) is tert-butyl 2-[2-[2-[2-[2-[2-[(4-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl 8-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methane.

What is the SMILES notation for tert-butyl 2-[2-[2-[2-[2-[2-[(4-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl 8-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methane?

The canonical SMILES for tert-butyl 2-[2-[2-[2-[2-[2-[(4-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl 8-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methane is C.CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOc1cc(Br)ccn1.CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOc1cc(N2C3CCC2CN(C(=O)OC(C)(C)C)C3)ccn1.CC(C)(C)OC(=O)N1CC2CCC(C1)N2.

What is the InChIKey of tert-butyl 2-[2-[2-[2-[2-[2-[(4-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl 8-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methane?

The InChIKey is GIHLMRGGTCDMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H53N3O10.C21H34BrNO8.C11H20N2O2.CH4/c1-31(2,3)44-29(36)24-42-18-17-40-14-13-38-11-12-39-15-16-41-19-20-43-28-21-25(9-10-33-28)35-26-7-8-27(35)23-34(22-26)30(37)45-32(4,5)6;1-21(2,3)31-20(24)17-29-13-12-27-9-8-25-6-7-26-10-11-28-14-15-30-19-16-18(22)4-5-23-19;1-11(2,3)15-10(14)13-6-8-4-5-9(7-13)12-8;/h9-10,21,26-27H,7-8,11-20,22-24H2,1-6H3;4-5,16H,6-15,17H2,1-3H3;8-9,12H,4-7H2,1-3H3;1H4.

What are the key properties of tert-butyl 2-[2-[2-[2-[2-[2-[(4-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl 8-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methane?

tert-butyl 2-[2-[2-[2-[2-[2-[(4-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl 8-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methane has a molecular weight of 1376.53 g/mol, XLogP of 8.11, 37 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[2-[2-[2-[2-[2-[(4-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl 8-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methane is sourced from PubChem (CID 158264755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).