1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane

C104H232N12O — CID 157154232

IUPAC1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CC2CCN(C(C)C)C2C1.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CCC2(CC1)CCN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)CCO2.CC(C)N1CCC2(CCCN(C(C)C)C2)CC1.CC(C)N1CCC2(CCN(C(C)C)C2)C1
InChIInChI=1S/C15H30N2.C14H28N2O.C14H28N2.C13H26N2.2C12H24N2.12C2H6/c1-13(2)16-10-7-15(8-11-16)6-5-9-17(12-15)14(3)4;1-12(2)15-7-5-14(6-8-15)11-16(13(3)4)9-10-17-14;1-12(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;1-9(2)13-5-11-7-14(10(3)4)8-12(11)6-13;1-9(2)13-7-11-5-6-14(10(3)4)12(11)8-13;12*1-2/h13-14H,5-12H2,1-4H3;12-13H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;2*9-12H,5-8H2,1-4H3;12*1-2H3
InChIKeyALPVCNMFQUGAMO-UHFFFAOYSA-N
MW1667.08 g/mol
LogP25.53
Rot. Bonds12

About 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane

1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane (PubChem CID 157154232) has the molecular formula C104H232N12O and a molecular weight of 1667.08 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane.

Molecular Properties

Compound Name1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane
PubChem CID157154232
Molecular FormulaC104H232N12O
Molecular Weight1667.08 g/mol
Exact Mass1665.85
IUPAC Name1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CC2CCN(C(C)C)C2C1.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CCC2(CC1)CCN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)CCO2.CC(C)N1CCC2(CCCN(C(C)C)C2)CC1.CC(C)N1CCC2(CCN(C(C)C)C2)C1
InChIInChI=1S/C15H30N2.C14H28N2O.C14H28N2.C13H26N2.2C12H24N2.12C2H6/c1-13(2)16-10-7-15(8-11-16)6-5-9-17(12-15)14(3)4;1-12(2)15-7-5-14(6-8-15)11-16(13(3)4)9-10-17-14;1-12(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;1-9(2)13-5-11-7-14(10(3)4)8-12(11)6-13;1-9(2)13-7-11-5-6-14(10(3)4)12(11)8-13;12*1-2/h13-14H,5-12H2,1-4H3;12-13H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;2*9-12H,5-8H2,1-4H3;12*1-2H3
InChIKeyALPVCNMFQUGAMO-UHFFFAOYSA-N
XLogP25.53
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001667.08
LogP ≤ 525.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane?
The IUPAC name of 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane (CID 157154232) is 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane.
What is the SMILES notation for 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane?
The canonical SMILES for 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CC2CCN(C(C)C)C2C1.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CCC2(CC1)CCN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)CCO2.CC(C)N1CCC2(CCCN(C(C)C)C2)CC1.CC(C)N1CCC2(CCN(C(C)C)C2)C1.
What is the InChIKey of 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane?
The InChIKey is ALPVCNMFQUGAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C14H28N2O.C14H28N2.C13H26N2.2C12H24N2.12C2H6/c1-13(2)16-10-7-15(8-11-16)6-5-9-17(12-15)14(3)4;1-12(2)15-7-5-14(6-8-15)11-16(13(3)4)9-10-17-14;1-12(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;1-9(2)13-5-11-7-14(10(3)4)8-12(11)6-13;1-9(2)13-7-11-5-6-14(10(3)4)12(11)8-13;12*1-2/h13-14H,5-12H2,1-4H3;12-13H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;2*9-12H,5-8H2,1-4H3;12*1-2H3.
What are the key properties of 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane?
1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane has a molecular weight of 1667.08 g/mol, XLogP of 25.53, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;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;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane is sourced from PubChem (CID 157154232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).