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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane

C149H330N18O — CID 157338364

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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane
SMILESC.CC.CC.CC.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)CCN(C(C)C)CC2.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.CC(C)N1C[C@H]2CC[C@@H](C1)N2C(C)C.CC(C)N1C[C@H]2C[C@@H]1CN2C(C)C
InChIInChI=1S/2C15H30N2.C14H28N2O.C14H28N2.C13H26N2.3C12H24N2.C11H22N2.15C2H6.CH4/c1-13(2)16-9-5-15(6-10-16)7-11-17(12-8-15)14(3)4;1-13(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;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;15*1-2;/h2*13-14H,5-12H2,1-4H3;12-13H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;3*9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;15*1-2H3;1H4/t;;;;;;;11-,12+;10-,11-;;;;;;;;;;;;;;;;/m........1................/s1
InChIKeyBGCIWGKIXWJJAK-SDSMXITBSA-N
MW2390.40 g/mol
LogP35.74
Rot. Bonds18

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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane

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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane (PubChem CID 157338364) has the molecular formula C149H330N18O and a molecular weight of 2390.40 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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane.

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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane
PubChem CID157338364
Molecular FormulaC149H330N18O
Molecular Weight2390.40 g/mol
Exact Mass2388.63
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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane
SMILESC.CC.CC.CC.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)CCN(C(C)C)CC2.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.CC(C)N1C[C@H]2CC[C@@H](C1)N2C(C)C.CC(C)N1C[C@H]2C[C@@H]1CN2C(C)C
InChIInChI=1S/2C15H30N2.C14H28N2O.C14H28N2.C13H26N2.3C12H24N2.C11H22N2.15C2H6.CH4/c1-13(2)16-9-5-15(6-10-16)7-11-17(12-8-15)14(3)4;1-13(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;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;15*1-2;/h2*13-14H,5-12H2,1-4H3;12-13H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;3*9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;15*1-2H3;1H4/t;;;;;;;11-,12+;10-,11-;;;;;;;;;;;;;;;;/m........1................/s1
InChIKeyBGCIWGKIXWJJAK-SDSMXITBSA-N
XLogP35.74
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms168
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002390.40
LogP ≤ 535.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane?
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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane (CID 157338364) 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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane.
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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane?
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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane is C.CC.CC.CC.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)CCN(C(C)C)CC2.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.CC(C)N1C[C@H]2CC[C@@H](C1)N2C(C)C.CC(C)N1C[C@H]2C[C@@H]1CN2C(C)C.
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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane?
The InChIKey is BGCIWGKIXWJJAK-SDSMXITBSA-N. The full InChI is InChI=1S/2C15H30N2.C14H28N2O.C14H28N2.C13H26N2.3C12H24N2.C11H22N2.15C2H6.CH4/c1-13(2)16-9-5-15(6-10-16)7-11-17(12-8-15)14(3)4;1-13(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;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;15*1-2;/h2*13-14H,5-12H2,1-4H3;12-13H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;3*9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;15*1-2H3;1H4/t;;;;;;;11-,12+;10-,11-;;;;;;;;;;;;;;;;/m........1................/s1.
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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane?
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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane has a molecular weight of 2390.40 g/mol, XLogP of 35.74, 18 rotatable bonds, 0 hydrogen bond donors, and 19 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;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane is sourced from PubChem (CID 157338364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).