bis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine)

C250H557N38+ — CID 159523942

IUPACbis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)N1CC2CC=CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCCC(C1)N2C(C)(C)C.CC(C)N1CC(C)N(C(C)(C)C)CC1C.CC(C)N1CC(C)N(C(C)(C)C)CC1C.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CC2CCC1CN2C(C)C.CC(C)N1CC2CCCCC(C1)N2C(C)(C)C.CC(C)N1CC=[N+](C(C)C)CC1C.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)CC1.CCC1CN(C(C)C)CCN1C(C)C.CCC1CN(C(C)C)CCN1C(C)C
InChIInChI=1S/C16H30N2.2C15H30N2.2C13H28N2.2C12H24N2.6C12H26N2.C11H22N2.2C11H24N2.C11H23N2.C11H24N2.C10H22N2.17CH4/c1-15(2,3)17-11-13-9-7-8-10-14(12-17)18(13)16(4,5)6;1-14(2,3)16-10-12-8-7-9-13(11-16)17(12)15(4,5)6;1-12(2)16-10-13-8-6-7-9-14(11-16)17(13)15(3,4)5;2*1-10(2)14-8-12(4)15(9-11(14)3)13(5,6)7;1-9(2)13-7-12-6-5-11(13)8-14(12)10(3)4;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;4*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;2*1-6-12-9-13(10(2)3)7-8-14(12)11(4)5;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;3*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-10(2)12-6-5-7-13(9-8-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;;;;;;;;;;;;;;;;;/h7-8,13-14H,9-12H2,1-6H3;12-13H,7-11H2,1-6H3;12-14H,6-11H2,1-5H3;2*10-12H,8-9H2,1-7H3;2*9-12H,5-8H2,1-4H3;4*9-12H,7-8H2,1-6H3;2*10-12H,6-9H2,1-5H3;8-11H,5-7H2,1-4H3;2*9-11H,6-8H2,1-5H3;6,9-11H,7-8H2,1-5H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;17*1H4/q;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;
InChIKeyPYNAPTLYCUPHJG-UHFFFAOYSA-N
MW4096.47 g/mol
LogP52.62
Rot. Bonds33

About bis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine)

bis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine) (PubChem CID 159523942) has the molecular formula C250H557N38+ and a molecular weight of 4096.47 g/mol. Its IUPAC name is bis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine).

Molecular Properties

Compound Namebis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine)
PubChem CID159523942
Molecular FormulaC250H557N38+
Molecular Weight4096.47 g/mol
Exact Mass4093.47
IUPAC Namebis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)N1CC2CC=CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCCC(C1)N2C(C)(C)C.CC(C)N1CC(C)N(C(C)(C)C)CC1C.CC(C)N1CC(C)N(C(C)(C)C)CC1C.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CC2CCC1CN2C(C)C.CC(C)N1CC2CCCCC(C1)N2C(C)(C)C.CC(C)N1CC=[N+](C(C)C)CC1C.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)CC1.CCC1CN(C(C)C)CCN1C(C)C.CCC1CN(C(C)C)CCN1C(C)C
InChIInChI=1S/C16H30N2.2C15H30N2.2C13H28N2.2C12H24N2.6C12H26N2.C11H22N2.2C11H24N2.C11H23N2.C11H24N2.C10H22N2.17CH4/c1-15(2,3)17-11-13-9-7-8-10-14(12-17)18(13)16(4,5)6;1-14(2,3)16-10-12-8-7-9-13(11-16)17(12)15(4,5)6;1-12(2)16-10-13-8-6-7-9-14(11-16)17(13)15(3,4)5;2*1-10(2)14-8-12(4)15(9-11(14)3)13(5,6)7;1-9(2)13-7-12-6-5-11(13)8-14(12)10(3)4;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;4*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;2*1-6-12-9-13(10(2)3)7-8-14(12)11(4)5;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;3*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-10(2)12-6-5-7-13(9-8-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;;;;;;;;;;;;;;;;;/h7-8,13-14H,9-12H2,1-6H3;12-13H,7-11H2,1-6H3;12-14H,6-11H2,1-5H3;2*10-12H,8-9H2,1-7H3;2*9-12H,5-8H2,1-4H3;4*9-12H,7-8H2,1-6H3;2*10-12H,6-9H2,1-5H3;8-11H,5-7H2,1-4H3;2*9-11H,6-8H2,1-5H3;6,9-11H,7-8H2,1-5H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;17*1H4/q;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;
InChIKeyPYNAPTLYCUPHJG-UHFFFAOYSA-N
XLogP52.62
TPSA122.89 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds33
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004096.47
LogP ≤ 552.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze bis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine) with MolForge

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Launch Full Analysis

Related Compounds

10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane
CID 160947878
(2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291285
(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine)
CID 161123117
(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine
CID 161123115
(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291233
1-[4-[2-[4-tert-butyl-2-[3-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)-3-methylbutyl]-6-methylpiperazin-1-yl]ethoxy]butan-2-yl]-4-propan-2-yl-1,4-diazepane
CID 146528963
3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane
CID 159832079
(2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine
CID 166707730
4-ethyl-2,3,4,6,9,9a-hexahydro-1H-quinolizine
CID 135255034
(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291275
2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 158229285
1-tert-butyl-3,5-dimethylpiperazine;(3S,5R)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-2,6-dimethylpiperidine;(2R,6S)-1-tert-butyl-2,6-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-4-tert-butyl-1,2,6-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane
CID 159644311

Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine)?
The IUPAC name of bis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine) (CID 159523942) is bis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine).
What is the SMILES notation for bis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine)?
The canonical SMILES for bis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine) is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)N1CC2CC=CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCCC(C1)N2C(C)(C)C.CC(C)N1CC(C)N(C(C)(C)C)CC1C.CC(C)N1CC(C)N(C(C)(C)C)CC1C.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CC2CCC1CN2C(C)C.CC(C)N1CC2CCCCC(C1)N2C(C)(C)C.CC(C)N1CC=[N+](C(C)C)CC1C.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)CC1.CCC1CN(C(C)C)CCN1C(C)C.CCC1CN(C(C)C)CCN1C(C)C.
What is the InChIKey of bis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine)?
The InChIKey is PYNAPTLYCUPHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2.2C15H30N2.2C13H28N2.2C12H24N2.6C12H26N2.C11H22N2.2C11H24N2.C11H23N2.C11H24N2.C10H22N2.17CH4/c1-15(2,3)17-11-13-9-7-8-10-14(12-17)18(13)16(4,5)6;1-14(2,3)16-10-12-8-7-9-13(11-16)17(12)15(4,5)6;1-12(2)16-10-13-8-6-7-9-14(11-16)17(13)15(3,4)5;2*1-10(2)14-8-12(4)15(9-11(14)3)13(5,6)7;1-9(2)13-7-12-6-5-11(13)8-14(12)10(3)4;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;4*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;2*1-6-12-9-13(10(2)3)7-8-14(12)11(4)5;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;3*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-10(2)12-6-5-7-13(9-8-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;;;;;;;;;;;;;;;;;/h7-8,13-14H,9-12H2,1-6H3;12-13H,7-11H2,1-6H3;12-14H,6-11H2,1-5H3;2*10-12H,8-9H2,1-7H3;2*9-12H,5-8H2,1-4H3;4*9-12H,7-8H2,1-6H3;2*10-12H,6-9H2,1-5H3;8-11H,5-7H2,1-4H3;2*9-11H,6-8H2,1-5H3;6,9-11H,7-8H2,1-5H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;17*1H4/q;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;.
What are the key properties of bis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine)?
bis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine) has a molecular weight of 4096.47 g/mol, XLogP of 52.62, 33 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-2,5-dimethyl-4-propan-2-ylpiperazine);10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;8,10-ditert-butyl-8,10-diazabicyclo[4.3.1]dec-3-ene;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;tetrakis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(2-ethyl-1,4-di(propan-2-yl)piperazine);methane;3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium;bis(2-methyl-1,4-di(propan-2-yl)piperazine) is sourced from PubChem (CID 159523942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).