3-tert-butyl-3-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane

C60H119N11O — CID 162207431

About 3-tert-butyl-3-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane

3-tert-butyl-3-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane (PubChem CID 162207431) has the molecular formula C60H119N11O and a molecular weight of 1010.69 g/mol. Its IUPAC name is 3-tert-butyl-3-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

• Compound Name: 3-tert-butyl-3-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
• PubChem CID: 162207431
• Molecular Formula: C60H119N11O
• Molecular Weight: 1010.69 g/mol
• Exact Mass: 1009.96
• IUPAC Name: 3-tert-butyl-3-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
• SMILES: CC(C)(C)N1C2CCC1CNC2.CC(C)(C)N1CC2CCC(C1)N2.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CC2COCC(C1)N2.CC(C)(C)N1CCN2CC1C2.CC(C)(C)N1CCN2CCC1C2
• InChI: InChI=1S/C11H21N.C10H20N2O.3C10H20N2.C9H18N2/c1-11(2,3)12-7-9-4-5-10(6-9)8-12;1-10(2,3)12-4-8-6-13-7-9(5-12)11-8;1-10(2,3)12-6-8-4-5-9(7-12)11-8;1-10(2,3)12-8-4-5-9(12)7-11-6-8;1-10(2,3)12-7-6-11-5-4-9(12)8-11;1-9(2,3)11-5-4-10-6-8(11)7-10/h9-10H,4-8H2,1-3H3;8-9,11H,4-7H2,1-3H3;2*8-9,11H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
• InChIKey: ZSJRJASLBRTFTL-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 71.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1010.69
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?

The IUPAC name of 3-tert-butyl-3-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane (CID 162207431) is 3-tert-butyl-3-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane.

What is the SMILES notation for 3-tert-butyl-3-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?

The canonical SMILES for 3-tert-butyl-3-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane is CC(C)(C)N1C2CCC1CNC2.CC(C)(C)N1CC2CCC(C1)N2.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CC2COCC(C1)N2.CC(C)(C)N1CCN2CC1C2.CC(C)(C)N1CCN2CCC1C2.

What is the InChIKey of 3-tert-butyl-3-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?

The InChIKey is ZSJRJASLBRTFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C10H20N2O.3C10H20N2.C9H18N2/c1-11(2,3)12-7-9-4-5-10(6-9)8-12;1-10(2,3)12-4-8-6-13-7-9(5-12)11-8;1-10(2,3)12-6-8-4-5-9(7-12)11-8;1-10(2,3)12-8-4-5-9(12)7-11-6-8;1-10(2,3)12-7-6-11-5-4-9(12)8-11;1-9(2,3)11-5-4-10-6-8(11)7-10/h9-10H,4-8H2,1-3H3;8-9,11H,4-7H2,1-3H3;2*8-9,11H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3.

What are the key properties of 3-tert-butyl-3-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?

3-tert-butyl-3-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane has a molecular weight of 1010.69 g/mol, XLogP of 7.38, 0 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-3-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 162207431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).