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

C74H147N11 — CID 167675704

IUPAC2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;1,7-di(propan-2-yl)-1,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane
SMILESCC(C)C1CC2(C1)CN(C(C)C)C2.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)CCN2C(C)C
InChIInChI=1S/C14H28N2.C13H26N2.2C12H24N2.C12H23N.C11H22N2/c1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4;1-11(2)14-8-5-13(6-9-14)7-10-15(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)11-5-12(6-11)7-13(8-12)10(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4/h12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;9-12H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyUTYIZBCEPUQJPQ-UHFFFAOYSA-N
MW1191.07 g/mol
LogP12.60
Rot. Bonds12

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

2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;1,7-di(propan-2-yl)-1,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane (PubChem CID 167675704) has the molecular formula C74H147N11 and a molecular weight of 1191.07 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;1,7-di(propan-2-yl)-1,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;1,7-di(propan-2-yl)-1,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane
PubChem CID167675704
Molecular FormulaC74H147N11
Molecular Weight1191.07 g/mol
Exact Mass1190.18
IUPAC Name2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;1,7-di(propan-2-yl)-1,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane
SMILESCC(C)C1CC2(C1)CN(C(C)C)C2.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)CCN2C(C)C
InChIInChI=1S/C14H28N2.C13H26N2.2C12H24N2.C12H23N.C11H22N2/c1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4;1-11(2)14-8-5-13(6-9-14)7-10-15(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)11-5-12(6-11)7-13(8-12)10(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4/h12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;9-12H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyUTYIZBCEPUQJPQ-UHFFFAOYSA-N
XLogP12.60
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001191.07
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Related Compounds

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 158060404
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
CID 159856899
2,6-Dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane;2,7-dimethyl-2,7-diazaspiro[4.4]nonane;bis(2,7-dimethyl-2,7-diazaspiro[3.4]octane);methane
CID 160653378
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
2,8-Di(propan-2-yl)-2,8-diazaspiro[4.5]decane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,6-di(propan-2-yl)spiro[3.3]heptane;methane
CID 161452193
2,6-Dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane;2,7-dimethyl-2,7-diazaspiro[4.4]nonane;bis(2,7-dimethyl-2,7-diazaspiro[3.4]octane)
CID 162131018
2,6-Dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane;bis(2,7-dimethyl-2,7-diazaspiro[3.4]octane);methane
CID 163486262
2,6-Dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane;2,7-dimethyl-2,7-diazaspiro[4.4]nonane
CID 165001910

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;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;1,7-di(propan-2-yl)-1,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;1,7-di(propan-2-yl)-1,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane (CID 167675704) is 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;1,7-di(propan-2-yl)-1,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;1,7-di(propan-2-yl)-1,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;1,7-di(propan-2-yl)-1,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane is CC(C)C1CC2(C1)CN(C(C)C)C2.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)CCN2C(C)C.
What is the InChIKey of 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;1,7-di(propan-2-yl)-1,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane?
The InChIKey is UTYIZBCEPUQJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C13H26N2.2C12H24N2.C12H23N.C11H22N2/c1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4;1-11(2)14-8-5-13(6-9-14)7-10-15(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)11-5-12(6-11)7-13(8-12)10(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4/h12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;9-12H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;1,7-di(propan-2-yl)-1,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane?
2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;1,7-di(propan-2-yl)-1,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane has a molecular weight of 1191.07 g/mol, XLogP of 12.60, 12 rotatable bonds, 0 hydrogen bond donors, and 11 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;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;1,7-di(propan-2-yl)-1,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 167675704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).