(1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane

C94H179N7 — CID 162279376

About (1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane

(1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane (PubChem CID 162279376) has the molecular formula C94H179N7 and a molecular weight of 1407.51 g/mol. Its IUPAC name is (1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: (1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane
• PubChem CID: 162279376
• Molecular Formula: C94H179N7
• Molecular Weight: 1407.51 g/mol
• Exact Mass: 1406.42
• IUPAC Name: (1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane
• SMILES: CC(C)(C)C1C2CCCC1CC2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CC2CCCC(CC2)C1.CC(C)(C)N1CCC2CCC1CC2.CC(C)(C)N1CCC2CCCC1C2.CC(C)(C)N1CC[C@@H]2CCC[C@@H](C2)C1
• InChI: InChI=1S/2C13H25N.2C12H23N.C12H22.2C11H21N.C10H19N/c1-13(2,3)14-8-7-11-5-4-6-12(9-11)10-14;1-13(2,3)14-9-11-5-4-6-12(10-14)8-7-11;1-12(2,3)13-9-8-10-4-6-11(13)7-5-10;1-12(2,3)13-8-7-10-5-4-6-11(13)9-10;1-12(2,3)11-9-5-4-6-10(11)8-7-9;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-10(2,3)11-7-8-4-5-9(11)6-8/h2*11-12H,4-10H2,1-3H3;2*10-11H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3/t11-,12-;;;;;;;/m0......./s1
• InChIKey: QJMCCCDKDDQLTI-KJBKAOHWSA-N
• XLogP: 24.28
• TPSA: 22.68 Ų
• H-Bond Acceptors: 7
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1407.51
LogP ≤ 5	24.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane?

The IUPAC name of (1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane (CID 162279376) is (1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane.

What is the SMILES notation for (1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane?

The canonical SMILES for (1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane is CC(C)(C)C1C2CCCC1CC2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CC2CCCC(CC2)C1.CC(C)(C)N1CCC2CCC1CC2.CC(C)(C)N1CCC2CCCC1C2.CC(C)(C)N1CC[C@@H]2CCC[C@@H](C2)C1.

What is the InChIKey of (1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane?

The InChIKey is QJMCCCDKDDQLTI-KJBKAOHWSA-N. The full InChI is InChI=1S/2C13H25N.2C12H23N.C12H22.2C11H21N.C10H19N/c1-13(2,3)14-8-7-11-5-4-6-12(9-11)10-14;1-13(2,3)14-9-11-5-4-6-12(10-14)8-7-11;1-12(2,3)13-9-8-10-4-6-11(13)7-5-10;1-12(2,3)13-8-7-10-5-4-6-11(13)9-10;1-12(2,3)11-9-5-4-6-10(11)8-7-9;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-10(2,3)11-7-8-4-5-9(11)6-8/h2*11-12H,4-10H2,1-3H3;2*10-11H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3/t11-,12-;;;;;;;/m0......./s1.

What are the key properties of (1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane?

(1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane has a molecular weight of 1407.51 g/mol, XLogP of 24.28, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane is sourced from PubChem (CID 162279376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).