(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate)

C84H162N6O8 — CID 157372944

About (3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate)

(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate) (PubChem CID 157372944) has the molecular formula C84H162N6O8 and a molecular weight of 1384.25 g/mol. Its IUPAC name is (3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate).

Molecular Properties

• Compound Name: (3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate)
• PubChem CID: 157372944
• Molecular Formula: C84H162N6O8
• Molecular Weight: 1384.25 g/mol
• Exact Mass: 1383.25
• IUPAC Name: (3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate)
• SMILES: C.C.C.C.C.CC(C)(C)C1CC2CCC(C1)N2C(=O)C1CCC1.CC(C)(C)COC(=O)N1C2CCC1CC(C(C)(C)C)C2.CC(C)COC(=O)N1C2CCC1CC(C(C)(C)C)C2.CC(C)COC(=O)N1C2CCC1CC(C(C)(C)C)C2.CN(C)C(=O)N1C2CCC1CC(C(C)(C)C)C2
• InChI: InChI=1S/C17H31NO2.2C16H29NO2.C16H27NO.C14H26N2O.5CH4/c1-16(2,3)11-20-15(19)18-13-7-8-14(18)10-12(9-13)17(4,5)6;2*1-11(2)10-19-15(18)17-13-6-7-14(17)9-12(8-13)16(3,4)5;1-16(2,3)12-9-13-7-8-14(10-12)17(13)15(18)11-5-4-6-11;1-14(2,3)10-8-11-6-7-12(9-10)16(11)13(17)15(4)5;;;;;/h12-14H,7-11H2,1-6H3;2*11-14H,6-10H2,1-5H3;11-14H,4-10H2,1-3H3;10-12H,6-9H2,1-5H3;5*1H4
• InChIKey: BJZCVCLHNFWEJD-UHFFFAOYSA-N
• XLogP: 22.33
• TPSA: 132.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1384.25
LogP ≤ 5	22.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate)?

The IUPAC name of (3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate) (CID 157372944) is (3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate).

What is the SMILES notation for (3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate)?

The canonical SMILES for (3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate) is C.C.C.C.C.CC(C)(C)C1CC2CCC(C1)N2C(=O)C1CCC1.CC(C)(C)COC(=O)N1C2CCC1CC(C(C)(C)C)C2.CC(C)COC(=O)N1C2CCC1CC(C(C)(C)C)C2.CC(C)COC(=O)N1C2CCC1CC(C(C)(C)C)C2.CN(C)C(=O)N1C2CCC1CC(C(C)(C)C)C2.

What is the InChIKey of (3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate)?

The InChIKey is BJZCVCLHNFWEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2.2C16H29NO2.C16H27NO.C14H26N2O.5CH4/c1-16(2,3)11-20-15(19)18-13-7-8-14(18)10-12(9-13)17(4,5)6;2*1-11(2)10-19-15(18)17-13-6-7-14(17)9-12(8-13)16(3,4)5;1-16(2,3)12-9-13-7-8-14(10-12)17(13)15(18)11-5-4-6-11;1-14(2,3)10-8-11-6-7-12(9-10)16(11)13(17)15(4)5;;;;;/h12-14H,7-11H2,1-6H3;2*11-14H,6-10H2,1-5H3;11-14H,4-10H2,1-3H3;10-12H,6-9H2,1-5H3;5*1H4.

What are the key properties of (3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate)?

(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate) has a molecular weight of 1384.25 g/mol, XLogP of 22.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate) is sourced from PubChem (CID 157372944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).