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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane

C254H562N26 — CID 162017943

IUPAC2,5-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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)CC1CCN(CC(C)C)CC1.CC(C)CC1CCN(CC(C)C)CC1.CC(C)CN1CC2CC(C1)N(CC(C)(C)C)C2.CC(C)CN1CC2CC(C1)N(CC(C)C)C2.CC(C)CN1CC2CC1CN2CC(C)C.CC(C)CN1CC2CC1CN2CC(C)C.CC(C)CN1CC2CCC1CN2CC(C)C.CC(C)CN1CC2CCC1CN2CC(C)C.CC(C)CN1CC2CN(CC(C)C)CC2C1.CC(C)CN1CCC2(CC1)CCN(CC(C)C)C2.CC(C)CN1CCC2(CC1)CCN(CC(C)C)C2.CC(C)CN1CCC2(CC1)CCN(CC(C)C)CC2.CC(C)CN1CCC2(CC1)CN(CC(C)C)C2.CC(C)CN1CCC2(CC1)CN(CC(C)C)C2
InChIInChI=1S/C17H34N2.2C16H32N2.3C15H30N2.4C14H28N2.2C13H26N2.2C13H27N.26C2H6/c1-15(2)13-18-9-5-17(6-10-18)7-11-19(12-8-17)14-16(3)4;2*1-14(2)11-17-8-5-16(6-9-17)7-10-18(13-16)12-15(3)4;1-12(2)7-16-8-13-6-14(10-16)17(9-13)11-15(3,4)5;2*1-13(2)9-16-7-5-15(6-8-16)11-17(12-15)10-14(3)4;1-11(2)6-15-8-13-5-14(10-15)16(9-13)7-12(3)4;1-11(2)5-15-7-13-9-16(6-12(3)4)10-14(13)8-15;2*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;2*1-11(2)9-13-5-7-14(8-6-13)10-12(3)4;26*1-2/h15-16H,5-14H2,1-4H3;2*14-15H,5-13H2,1-4H3;12-14H,6-11H2,1-5H3;2*13-14H,5-12H2,1-4H3;4*11-14H,5-10H2,1-4H3;2*10-13H,5-9H2,1-4H3;2*11-13H,5-10H2,1-4H3;26*1-2H3
InChIKeyYUJCLUQOFQNQEW-UHFFFAOYSA-N
MW3981.47 g/mol
LogP64.69
Rot. Bonds55

About 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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane

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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane (PubChem CID 162017943) has the molecular formula C254H562N26 and a molecular weight of 3981.47 g/mol. Its IUPAC name is 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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane.

Molecular Properties

Compound Name2,5-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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane
PubChem CID162017943
Molecular FormulaC254H562N26
Molecular Weight3981.47 g/mol
Exact Mass3978.48
IUPAC Name2,5-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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)CC1CCN(CC(C)C)CC1.CC(C)CC1CCN(CC(C)C)CC1.CC(C)CN1CC2CC(C1)N(CC(C)(C)C)C2.CC(C)CN1CC2CC(C1)N(CC(C)C)C2.CC(C)CN1CC2CC1CN2CC(C)C.CC(C)CN1CC2CC1CN2CC(C)C.CC(C)CN1CC2CCC1CN2CC(C)C.CC(C)CN1CC2CCC1CN2CC(C)C.CC(C)CN1CC2CN(CC(C)C)CC2C1.CC(C)CN1CCC2(CC1)CCN(CC(C)C)C2.CC(C)CN1CCC2(CC1)CCN(CC(C)C)C2.CC(C)CN1CCC2(CC1)CCN(CC(C)C)CC2.CC(C)CN1CCC2(CC1)CN(CC(C)C)C2.CC(C)CN1CCC2(CC1)CN(CC(C)C)C2
InChIInChI=1S/C17H34N2.2C16H32N2.3C15H30N2.4C14H28N2.2C13H26N2.2C13H27N.26C2H6/c1-15(2)13-18-9-5-17(6-10-18)7-11-19(12-8-17)14-16(3)4;2*1-14(2)11-17-8-5-16(6-9-17)7-10-18(13-16)12-15(3)4;1-12(2)7-16-8-13-6-14(10-16)17(9-13)11-15(3,4)5;2*1-13(2)9-16-7-5-15(6-8-16)11-17(12-15)10-14(3)4;1-11(2)6-15-8-13-5-14(10-15)16(9-13)7-12(3)4;1-11(2)5-15-7-13-9-16(6-12(3)4)10-14(13)8-15;2*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;2*1-11(2)9-13-5-7-14(8-6-13)10-12(3)4;26*1-2/h15-16H,5-14H2,1-4H3;2*14-15H,5-13H2,1-4H3;12-14H,6-11H2,1-5H3;2*13-14H,5-12H2,1-4H3;4*11-14H,5-10H2,1-4H3;2*10-13H,5-9H2,1-4H3;2*11-13H,5-10H2,1-4H3;26*1-2H3
InChIKeyYUJCLUQOFQNQEW-UHFFFAOYSA-N
XLogP64.69
TPSA84.24 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds55
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003981.47
LogP ≤ 564.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane with MolForge

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Related Compounds

CID 157172076
CID 157172076
1-Tert-butyl-4-methyl-4-propan-2-ylpiperidine;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine
CID 157218252
bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1R,5S)-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane;bis((1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane);bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);1,4-di(propan-2-yl)-1,4-diazepane;1,5-di(propan-2-yl)-1,5-diazocane;1,4-di(propan-2-yl)piperazine;(2S)-1,4-di(propan-2-yl)piperazine-2-carbonitrile;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(2R)-2-ethyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane;(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine)
CID 157347072
4-Tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane
CID 157376407
N-(azepan-4-ylmethyl)-N-methylpropan-2-amine;N-(azepan-4-ylmethyl)propan-2-amine;bis(N-(azetidin-3-ylmethyl)propan-2-amine);N-ethyl-N-propan-2-ylazepan-4-amine;N-ethyl-N-propan-2-ylazetidin-3-amine;N-ethyl-N-propan-2-ylpiperidin-4-amine;N-ethyl-N-propan-2-ylpyrrolidin-3-amine;methane;N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylazepan-4-amine;N-methyl-N-propan-2-ylazetidin-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine;N-(piperidin-4-ylmethyl)propan-2-amine;N-propan-2-ylazepan-4-amine;N-propan-2-ylazetidin-3-amine;N-propan-2-ylpiperidin-4-amine;N-propan-2-ylpyrrolidin-3-amine;bis(N-(pyrrolidin-3-ylmethyl)propan-2-amine)
CID 157642509
3,6-Di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 157671451
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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane
CID 157689894
CID 157797983
CID 157797983
Bis(1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(3,7-dimethyl-3,7-diazabicyclo[4.2.0]octane);2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;2,7-dimethyl-2,7-diazaspiro[3.4]octane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperidine;6-fluoro-1,4-dimethyl-1,4-diazepane
CID 157972774
1-Tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;4-tert-butyl-1-[(1-tert-butylpyrrolidin-3-yl)methyl]-4-methylpiperidine;1-tert-butyl-4-[(1-tert-butylpyrrolidin-3-yl)methyl]piperazine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 158243569
1,4-Di(propan-2-yl)-4-aza-1-azoniabicyclo[3.2.2]nonane;1,4-di(propan-2-yl)-1-azoniabicyclo[2.2.1]heptane;1,5-di(propan-2-yl)-1-azoniabicyclo[3.3.1]nonane;1,4-di(propan-2-yl)-1-azoniabicyclo[2.2.2]octane;1,1-di(propan-2-yl)pyrrolidin-1-ium;5-methyl-2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane
CID 158581663
2,5-di(propan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium;1,4-di(propan-2-yl)-4-aza-1-azoniabicyclo[3.2.2]nonane;1,4-di(propan-2-yl)-4-aza-1-azoniabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1-azoniabicyclo[2.2.2]octane;1,1-di(propan-2-yl)pyrrolidin-1-ium;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.1]heptane
CID 158877274

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;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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane?
The IUPAC name of 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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane (CID 162017943) is 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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane.
What is the SMILES notation for 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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane?
The canonical SMILES for 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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)CC1CCN(CC(C)C)CC1.CC(C)CC1CCN(CC(C)C)CC1.CC(C)CN1CC2CC(C1)N(CC(C)(C)C)C2.CC(C)CN1CC2CC(C1)N(CC(C)C)C2.CC(C)CN1CC2CC1CN2CC(C)C.CC(C)CN1CC2CC1CN2CC(C)C.CC(C)CN1CC2CCC1CN2CC(C)C.CC(C)CN1CC2CCC1CN2CC(C)C.CC(C)CN1CC2CN(CC(C)C)CC2C1.CC(C)CN1CCC2(CC1)CCN(CC(C)C)C2.CC(C)CN1CCC2(CC1)CCN(CC(C)C)C2.CC(C)CN1CCC2(CC1)CCN(CC(C)C)CC2.CC(C)CN1CCC2(CC1)CN(CC(C)C)C2.CC(C)CN1CCC2(CC1)CN(CC(C)C)C2.
What is the InChIKey of 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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane?
The InChIKey is YUJCLUQOFQNQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2.2C16H32N2.3C15H30N2.4C14H28N2.2C13H26N2.2C13H27N.26C2H6/c1-15(2)13-18-9-5-17(6-10-18)7-11-19(12-8-17)14-16(3)4;2*1-14(2)11-17-8-5-16(6-9-17)7-10-18(13-16)12-15(3)4;1-12(2)7-16-8-13-6-14(10-16)17(9-13)11-15(3,4)5;2*1-13(2)9-16-7-5-15(6-8-16)11-17(12-15)10-14(3)4;1-11(2)6-15-8-13-5-14(10-15)16(9-13)7-12(3)4;1-11(2)5-15-7-13-9-16(6-12(3)4)10-14(13)8-15;2*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;2*1-11(2)9-13-5-7-14(8-6-13)10-12(3)4;26*1-2/h15-16H,5-14H2,1-4H3;2*14-15H,5-13H2,1-4H3;12-14H,6-11H2,1-5H3;2*13-14H,5-12H2,1-4H3;4*11-14H,5-10H2,1-4H3;2*10-13H,5-9H2,1-4H3;2*11-13H,5-10H2,1-4H3;26*1-2H3.
What are the key properties of 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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane?
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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane has a molecular weight of 3981.47 g/mol, XLogP of 64.69, 55 rotatable bonds, 0 hydrogen bond donors, and 26 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;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);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane is sourced from PubChem (CID 162017943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).