2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane

C87H188N12 — CID 162210988

About 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane

2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane (PubChem CID 162210988) has the molecular formula C87H188N12 and a molecular weight of 1402.54 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane.

Molecular Properties

• Compound Name: 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane
• PubChem CID: 162210988
• Molecular Formula: C87H188N12
• Molecular Weight: 1402.54 g/mol
• Exact Mass: 1401.51
• IUPAC Name: 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane
• SMILES: C.CC.CC.CC.CC.CC.CC.CC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCCC2(C1)CN(C(C)C)C2
• InChI: InChI=1S/3C13H26N2.2C12H24N2.C11H22N2.6C2H6.CH4/c2*1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;1-11(2)14-7-5-6-13(8-14)9-15(10-13)12(3)4;2*1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4;6*1-2;/h3*11-12H,5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;6*1-2H3;1H4
• InChIKey: ZSVNXWRWQZMJBN-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 38.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1402.54
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane?

The IUPAC name of 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane (CID 162210988) is 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane.

What is the SMILES notation for 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane?

The canonical SMILES for 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane is C.CC.CC.CC.CC.CC.CC.CC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCCC2(C1)CN(C(C)C)C2.

What is the InChIKey of 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane?

The InChIKey is ZSVNXWRWQZMJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H26N2.2C12H24N2.C11H22N2.6C2H6.CH4/c2*1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;1-11(2)14-7-5-6-13(8-14)9-15(10-13)12(3)4;2*1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4;6*1-2;/h3*11-12H,5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;6*1-2H3;1H4.

What are the key properties of 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane?

2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane has a molecular weight of 1402.54 g/mol, XLogP of 18.44, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane is sourced from PubChem (CID 162210988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).