2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane

C89H180N14 — CID 161224172

IUPAC2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane
SMILESC.CC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CCN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCC2(CCN(C(C)C)C2)C1.CC(C)N1CCCC2(C1)CN(C(C)C)C2
InChIInChI=1S/C14H28N2.3C13H26N2.2C12H24N2.C11H22N2.CH4/c1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4;1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;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;1-9(2)13-5-11-7-14(10(3)4)8-12(11)6-13;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;/h12-13H,5-11H2,1-4H3;3*11-12H,5-10H2,1-4H3;9-12H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;1H4
InChIKeyUXXDLCCWOHMUOU-UHFFFAOYSA-N
MW1446.52 g/mol
LogP14.73
Rot. Bonds14

About 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane

2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane (PubChem CID 161224172) has the molecular formula C89H180N14 and a molecular weight of 1446.52 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane
PubChem CID161224172
Molecular FormulaC89H180N14
Molecular Weight1446.52 g/mol
Exact Mass1445.45
IUPAC Name2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane
SMILESC.CC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CCN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCC2(CCN(C(C)C)C2)C1.CC(C)N1CCCC2(C1)CN(C(C)C)C2
InChIInChI=1S/C14H28N2.3C13H26N2.2C12H24N2.C11H22N2.CH4/c1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4;1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;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;1-9(2)13-5-11-7-14(10(3)4)8-12(11)6-13;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;/h12-13H,5-11H2,1-4H3;3*11-12H,5-10H2,1-4H3;9-12H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;1H4
InChIKeyUXXDLCCWOHMUOU-UHFFFAOYSA-N
XLogP14.73
TPSA45.36 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms103
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001446.52
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane?
The IUPAC name of 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane (CID 161224172) is 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane.
What is the SMILES notation for 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane?
The canonical SMILES for 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane is C.CC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CCN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCC2(CCN(C(C)C)C2)C1.CC(C)N1CCCC2(C1)CN(C(C)C)C2.
What is the InChIKey of 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane?
The InChIKey is UXXDLCCWOHMUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.3C13H26N2.2C12H24N2.C11H22N2.CH4/c1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4;1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;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;1-9(2)13-5-11-7-14(10(3)4)8-12(11)6-13;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;/h12-13H,5-11H2,1-4H3;3*11-12H,5-10H2,1-4H3;9-12H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;1H4.
What are the key properties of 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane?
2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane has a molecular weight of 1446.52 g/mol, XLogP of 14.73, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane is sourced from PubChem (CID 161224172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).