2-tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane

C66H131N11 — CID 167573665

About 2-tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane

2-tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane (PubChem CID 167573665) has the molecular formula C66H131N11 and a molecular weight of 1078.85 g/mol. Its IUPAC name is 2-tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

• Compound Name: 2-tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane
• PubChem CID: 167573665
• Molecular Formula: C66H131N11
• Molecular Weight: 1078.85 g/mol
• Exact Mass: 1078.06
• IUPAC Name: 2-tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane
• SMILES: CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2(CCNCC2)C1.CC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CCC2(CC1)CNC2.CC(C)(C)N1CCC2(CCNC2)CC1.CC(C)(C)N1CCC2(CCNCC2)CC1
• InChI: InChI=1S/C13H26N2.C12H24N2.2C11H22N2.C10H19N.C9H18N2/c1-12(2,3)15-10-6-13(7-11-15)4-8-14-9-5-13;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;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;1-9(2,3)11-7-10(8-11)5-4-6-10;1-8(2,3)11-6-9(7-11)4-10-5-9/h14H,4-11H2,1-3H3;13H,4-10H2,1-3H3;2*12H,4-9H2,1-3H3;4-8H2,1-3H3;10H,4-7H2,1-3H3
• InChIKey: GFYDPWAJGKPXKS-UHFFFAOYSA-N
• XLogP: 10.01
• TPSA: 79.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1078.85
LogP ≤ 5	10.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane?

The IUPAC name of 2-tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane (CID 167573665) is 2-tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane.

What is the SMILES notation for 2-tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane?

The canonical SMILES for 2-tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane is CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2(CCNCC2)C1.CC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CCC2(CC1)CNC2.CC(C)(C)N1CCC2(CCNC2)CC1.CC(C)(C)N1CCC2(CCNCC2)CC1.

What is the InChIKey of 2-tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane?

The InChIKey is GFYDPWAJGKPXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C12H24N2.2C11H22N2.C10H19N.C9H18N2/c1-12(2,3)15-10-6-13(7-11-15)4-8-14-9-5-13;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;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;1-9(2,3)11-7-10(8-11)5-4-6-10;1-8(2,3)11-6-9(7-11)4-10-5-9/h14H,4-11H2,1-3H3;13H,4-10H2,1-3H3;2*12H,4-9H2,1-3H3;4-8H2,1-3H3;10H,4-7H2,1-3H3.

What are the key properties of 2-tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane?

2-tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane has a molecular weight of 1078.85 g/mol, XLogP of 10.01, 0 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 167573665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).