2-tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane

C99H197N17 — CID 161013570

About 2-tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane

2-tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane (PubChem CID 161013570) has the molecular formula C99H197N17 and a molecular weight of 1625.78 g/mol. Its IUPAC name is 2-tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane.

Molecular Properties

• Compound Name: 2-tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane
• PubChem CID: 161013570
• Molecular Formula: C99H197N17
• Molecular Weight: 1625.78 g/mol
• Exact Mass: 1624.59
• IUPAC Name: 2-tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane
• SMILES: CC(C)(C)N1CC2(CCCC2)C1.CC(C)(C)N1CC2(CCCN2)C1.CC(C)(C)N1CC2(CCCNC2)C1.CC(C)(C)N1CC2(CCNC2)C1.CC(C)(C)N1CC2(CCNCC2)C1.CC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CCC2(CC1)CNC2.CC(C)(C)N1CCC2(CCCCN2)CC1.CC(C)(C)N1CCC2(CCNCC2)CC1
• InChI: InChI=1S/2C13H26N2.3C11H22N2.C11H21N.2C10H20N2.C9H18N2/c1-12(2,3)15-10-6-13(7-11-15)4-8-14-9-5-13;1-12(2,3)15-10-7-13(8-11-15)6-4-5-9-14-13;1-10(2,3)13-6-4-11(5-7-13)8-12-9-11;1-10(2,3)13-8-11(9-13)4-6-12-7-5-11;1-10(2,3)13-8-11(9-13)5-4-6-12-7-11;1-10(2,3)12-8-11(9-12)6-4-5-7-11;1-9(2,3)12-7-10(8-12)4-5-11-6-10;1-9(2,3)12-7-10(8-12)5-4-6-11-10;1-8(2,3)11-6-9(7-11)4-10-5-9/h2*14H,4-11H2,1-3H3;3*12H,4-9H2,1-3H3;4-9H2,1-3H3;2*11H,4-8H2,1-3H3;10H,4-7H2,1-3H3
• InChIKey: TXKVAMKCYWYOBJ-UHFFFAOYSA-N
• XLogP: 14.71
• TPSA: 125.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1625.78
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane?

The IUPAC name of 2-tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane (CID 161013570) is 2-tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane.

What is the SMILES notation for 2-tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane?

The canonical SMILES for 2-tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane is CC(C)(C)N1CC2(CCCC2)C1.CC(C)(C)N1CC2(CCCN2)C1.CC(C)(C)N1CC2(CCCNC2)C1.CC(C)(C)N1CC2(CCNC2)C1.CC(C)(C)N1CC2(CCNCC2)C1.CC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CCC2(CC1)CNC2.CC(C)(C)N1CCC2(CCCCN2)CC1.CC(C)(C)N1CCC2(CCNCC2)CC1.

What is the InChIKey of 2-tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane?

The InChIKey is TXKVAMKCYWYOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H26N2.3C11H22N2.C11H21N.2C10H20N2.C9H18N2/c1-12(2,3)15-10-6-13(7-11-15)4-8-14-9-5-13;1-12(2,3)15-10-7-13(8-11-15)6-4-5-9-14-13;1-10(2,3)13-6-4-11(5-7-13)8-12-9-11;1-10(2,3)13-8-11(9-13)4-6-12-7-5-11;1-10(2,3)13-8-11(9-13)5-4-6-12-7-11;1-10(2,3)12-8-11(9-12)6-4-5-7-11;1-9(2,3)12-7-10(8-12)4-5-11-6-10;1-9(2,3)12-7-10(8-12)5-4-6-11-10;1-8(2,3)11-6-9(7-11)4-10-5-9/h2*14H,4-11H2,1-3H3;3*12H,4-9H2,1-3H3;4-9H2,1-3H3;2*11H,4-8H2,1-3H3;10H,4-7H2,1-3H3.

What are the key properties of 2-tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane?

2-tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane has a molecular weight of 1625.78 g/mol, XLogP of 14.71, 0 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 161013570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).