4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane

C73H152N12 — CID 159165829

About 4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane

4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane (PubChem CID 159165829) has the molecular formula C73H152N12 and a molecular weight of 1198.10 g/mol. Its IUPAC name is 4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane.

Molecular Properties

• Compound Name: 4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane
• PubChem CID: 159165829
• Molecular Formula: C73H152N12
• Molecular Weight: 1198.10 g/mol
• Exact Mass: 1197.23
• IUPAC Name: 4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane
• SMILES: C.C.C.C.CC(C)(C)N1CCN2C3CCC(C3)C2C1.CC(C)(C)N1CCN2CCC1C2.CC(C)(C)N1CCN2CCC1CC2.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2(C)CN(C(C)(C)C)CC(C)(C1)C2.CN1CC2CC1CN2C(C)(C)C
• InChI: InChI=1S/C14H28N2.C13H24N2.2C11H22N2.2C10H20N2.4CH4/c1-12(2,3)16-10-13(4)7-14(5,11-16)9-15(6)8-13;1-13(2,3)14-6-7-15-11-5-4-10(8-11)12(15)9-14;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;1-11(2,3)13-9-8-12-6-4-10(13)5-7-12;1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-10(2,3)12-7-6-11-5-4-9(12)8-11;;;;/h7-11H2,1-6H3;10-12H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;8-9H,5-7H2,1-4H3;9H,4-8H2,1-3H3;4*1H4
• InChIKey: KLBDLXIWYQZCMG-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 38.88 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1198.10
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane?

The IUPAC name of 4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane (CID 159165829) is 4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane.

What is the SMILES notation for 4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane?

The canonical SMILES for 4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane is C.C.C.C.CC(C)(C)N1CCN2C3CCC(C3)C2C1.CC(C)(C)N1CCN2CCC1C2.CC(C)(C)N1CCN2CCC1CC2.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2(C)CN(C(C)(C)C)CC(C)(C1)C2.CN1CC2CC1CN2C(C)(C)C.

What is the InChIKey of 4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane?

The InChIKey is KLBDLXIWYQZCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C13H24N2.2C11H22N2.2C10H20N2.4CH4/c1-12(2,3)16-10-13(4)7-14(5,11-16)9-15(6)8-13;1-13(2,3)14-6-7-15-11-5-4-10(8-11)12(15)9-14;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;1-11(2,3)13-9-8-12-6-4-10(13)5-7-12;1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-10(2,3)12-7-6-11-5-4-9(12)8-11;;;;/h7-11H2,1-6H3;10-12H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;8-9H,5-7H2,1-4H3;9H,4-8H2,1-3H3;4*1H4.

What are the key properties of 4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane?

4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane has a molecular weight of 1198.10 g/mol, XLogP of 12.42, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane is sourced from PubChem (CID 159165829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).