2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane

C90H198N8 — CID 158347310

IUPAC2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)CC1CC2CCC1CC2CC(C)C.CC(C)CN1CC2CC1CN2CC(C)C.CC(C)CN1CC2CC1CN2CC(C)C.CC(C)CN1CC2CCC1CN2CC(C)C.CC(C)CN1CC2CN(CC(C)C)CC2C1
InChIInChI=1S/C16H30.2C14H28N2.2C13H26N2.10C2H6/c1-11(2)7-15-9-14-6-5-13(15)10-16(14)8-12(3)4;1-11(2)5-15-7-13-9-16(6-12(3)4)10-14(13)8-15;1-11(2)7-15-9-14-6-5-13(15)10-16(14)8-12(3)4;2*1-10(2)6-14-8-13-5-12(14)9-15(13)7-11(3)4;10*1-2/h11-16H,5-10H2,1-4H3;2*11-14H,5-10H2,1-4H3;2*10-13H,5-9H2,1-4H3;10*1-2H3
InChIKeyGRWUUCUKOVAOAA-UHFFFAOYSA-N
MW1392.63 g/mol
LogP24.12
Rot. Bonds20

About 2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane

2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane (PubChem CID 158347310) has the molecular formula C90H198N8 and a molecular weight of 1392.63 g/mol. Its IUPAC name is 2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane.

Molecular Properties

Compound Name2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane
PubChem CID158347310
Molecular FormulaC90H198N8
Molecular Weight1392.63 g/mol
Exact Mass1391.57
IUPAC Name2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)CC1CC2CCC1CC2CC(C)C.CC(C)CN1CC2CC1CN2CC(C)C.CC(C)CN1CC2CC1CN2CC(C)C.CC(C)CN1CC2CCC1CN2CC(C)C.CC(C)CN1CC2CN(CC(C)C)CC2C1
InChIInChI=1S/C16H30.2C14H28N2.2C13H26N2.10C2H6/c1-11(2)7-15-9-14-6-5-13(15)10-16(14)8-12(3)4;1-11(2)5-15-7-13-9-16(6-12(3)4)10-14(13)8-15;1-11(2)7-15-9-14-6-5-13(15)10-16(14)8-12(3)4;2*1-10(2)6-14-8-13-5-12(14)9-15(13)7-11(3)4;10*1-2/h11-16H,5-10H2,1-4H3;2*11-14H,5-10H2,1-4H3;2*10-13H,5-9H2,1-4H3;10*1-2H3
InChIKeyGRWUUCUKOVAOAA-UHFFFAOYSA-N
XLogP24.12
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001392.63
LogP ≤ 524.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane with MolForge

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Related Compounds

Tris(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);bis(ruthenium(6+));bis(trichlororuthenium)
CID 145837966
2,5-Bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane);ethane
CID 158580278
Tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane
CID 159046914
1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 159641961
2,5-Bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane);1,4-bis(2-methylpropyl)piperazine;ethane
CID 159884090
(3aS,6aS)-1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,6-dimethylheptane;2,5-dimethylhexane;bis(1,3-di(propan-2-yl)cyclobutane);bis(1,4-di(propan-2-yl)cyclohexane);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;bis((1R,5S)-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane);(3S)-1,3-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;bis(1,3-di(propan-2-yl)pyrrolidine);(3R)-N-methyl-N,1-di(propan-2-yl)pyrrolidin-3-amine;2-(2-methylpropyl)-1-propan-2-ylazetidine;(2R)-2-(2-methylpropyl)-1-propan-2-ylazetidine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 160760451
2-Ethyl-1-propan-2-ylpiperidine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;2-(piperidin-1-ylmethyl)-1-propan-2-ylpiperidine;3-(piperidin-1-ylmethyl)-1-propan-2-ylpiperidine;4-(piperidin-1-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)piperidine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)piperidine;1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 160839987

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane?
The IUPAC name of 2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane (CID 158347310) is 2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane.
What is the SMILES notation for 2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane?
The canonical SMILES for 2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)CC1CC2CCC1CC2CC(C)C.CC(C)CN1CC2CC1CN2CC(C)C.CC(C)CN1CC2CC1CN2CC(C)C.CC(C)CN1CC2CCC1CN2CC(C)C.CC(C)CN1CC2CN(CC(C)C)CC2C1.
What is the InChIKey of 2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane?
The InChIKey is GRWUUCUKOVAOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30.2C14H28N2.2C13H26N2.10C2H6/c1-11(2)7-15-9-14-6-5-13(15)10-16(14)8-12(3)4;1-11(2)5-15-7-13-9-16(6-12(3)4)10-14(13)8-15;1-11(2)7-15-9-14-6-5-13(15)10-16(14)8-12(3)4;2*1-10(2)6-14-8-13-5-12(14)9-15(13)7-11(3)4;10*1-2/h11-16H,5-10H2,1-4H3;2*11-14H,5-10H2,1-4H3;2*10-13H,5-9H2,1-4H3;10*1-2H3.
What are the key properties of 2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane?
2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane has a molecular weight of 1392.63 g/mol, XLogP of 24.12, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-bis(2-methylpropyl)bicyclo[2.2.2]octane;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane;ethane is sourced from PubChem (CID 158347310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).