6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate

C174H323N31O14 — CID 159198171

IUPAC6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate
SMILESCC(=O)N1CCN2CCN(C(C)(C)C)CC2C1.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CC2NCCOC2C1.CC(C)(C)N1CCN2CCCCC2C1.CC(C)(C)N1CCc2cccnc2C1.CC(C)(C)N1CCc2ccncc2C1.CC(C)(C)N1CCn2cccc2C1.CC(C)(C)N1CCn2ccnc2C1.CC(C)(C)OC(=O)N1CCN2CCN(C(C)(C)C)CC2C1.CC1CCCCN1C(C)(C)C.COC(=O)CCN1CCN2CCN(C(C)(C)C)CC2C1.COCCN(CCO)C(C)(C)C.COCCN1CCN(C(C)(C)C)C(=O)C1.COCCN1CCN(C(C)(C)C)CC1=O.COc1cc2c(cn1)CCN(C(C)(C)C)C2
InChIInChI=1S/C16H31N3O2.C15H29N3O2.C13H25N3O.C13H20N2O.2C12H18N2.C12H24N2.2C11H22N2O2.C11H18N2.C10H17N3.C10H20N2O.C10H21N.C9H21NO2.C9H17NO/c1-15(2,3)19-10-9-17-7-8-18(11-13(17)12-19)14(20)21-16(4,5)6;1-15(2,3)18-10-9-17-8-7-16(11-13(17)12-18)6-5-14(19)20-4;1-11(17)15-6-5-14-7-8-16(13(2,3)4)10-12(14)9-15;1-13(2,3)15-6-5-10-8-14-12(16-4)7-11(10)9-15;1-12(2,3)14-7-5-10-4-6-13-8-11(10)9-14;1-12(2,3)14-8-6-10-5-4-7-13-11(10)9-14;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-6-5-12(7-8-15-4)10(14)9-13;1-11(2,3)13-6-5-12(7-8-15-4)9-10(13)14;1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-10(2,3)13-7-6-12-5-4-11-9(12)8-13;1-10(2,3)12-6-8-9(7-12)13-5-4-11-8;1-9-7-5-6-8-11(9)10(2,3)4;1-9(2,3)10(5-7-11)6-8-12-4;1-9(2,3)10-5-8-4-7(10)6-11-8/h13H,7-12H2,1-6H3;13H,5-12H2,1-4H3;12H,5-10H2,1-4H3;7-8H,5-6,9H2,1-4H3;4,6,8H,5,7,9H2,1-3H3;4-5,7H,6,8-9H2,1-3H3;11H,4-10H2,1-3H3;2*5-9H2,1-4H3;4-6H,7-9H2,1-3H3;4-5H,6-8H2,1-3H3;8-9,11H,4-7H2,1-3H3;9H,5-8H2,1-4H3;11H,5-8H2,1-4H3;7-8H,4-6H2,1-3H3
InChIKeyKOXYEWBKOVQCRZ-UHFFFAOYSA-N
MW3073.70 g/mol
LogP21.83
Rot. Bonds15

About 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate

6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate (PubChem CID 159198171) has the molecular formula C174H323N31O14 and a molecular weight of 3073.70 g/mol. Its IUPAC name is 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate.

Molecular Properties

Compound Name6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate
PubChem CID159198171
Molecular FormulaC174H323N31O14
Molecular Weight3073.70 g/mol
Exact Mass3071.55
IUPAC Name6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate
SMILESCC(=O)N1CCN2CCN(C(C)(C)C)CC2C1.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CC2NCCOC2C1.CC(C)(C)N1CCN2CCCCC2C1.CC(C)(C)N1CCc2cccnc2C1.CC(C)(C)N1CCc2ccncc2C1.CC(C)(C)N1CCn2cccc2C1.CC(C)(C)N1CCn2ccnc2C1.CC(C)(C)OC(=O)N1CCN2CCN(C(C)(C)C)CC2C1.CC1CCCCN1C(C)(C)C.COC(=O)CCN1CCN2CCN(C(C)(C)C)CC2C1.COCCN(CCO)C(C)(C)C.COCCN1CCN(C(C)(C)C)C(=O)C1.COCCN1CCN(C(C)(C)C)CC1=O.COc1cc2c(cn1)CCN(C(C)(C)C)C2
InChIInChI=1S/C16H31N3O2.C15H29N3O2.C13H25N3O.C13H20N2O.2C12H18N2.C12H24N2.2C11H22N2O2.C11H18N2.C10H17N3.C10H20N2O.C10H21N.C9H21NO2.C9H17NO/c1-15(2,3)19-10-9-17-7-8-18(11-13(17)12-19)14(20)21-16(4,5)6;1-15(2,3)18-10-9-17-8-7-16(11-13(17)12-18)6-5-14(19)20-4;1-11(17)15-6-5-14-7-8-16(13(2,3)4)10-12(14)9-15;1-13(2,3)15-6-5-10-8-14-12(16-4)7-11(10)9-15;1-12(2,3)14-7-5-10-4-6-13-8-11(10)9-14;1-12(2,3)14-8-6-10-5-4-7-13-11(10)9-14;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-6-5-12(7-8-15-4)10(14)9-13;1-11(2,3)13-6-5-12(7-8-15-4)9-10(13)14;1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-10(2,3)13-7-6-12-5-4-11-9(12)8-13;1-10(2,3)12-6-8-9(7-12)13-5-4-11-8;1-9-7-5-6-8-11(9)10(2,3)4;1-9(2,3)10(5-7-11)6-8-12-4;1-9(2,3)10-5-8-4-7(10)6-11-8/h13H,7-12H2,1-6H3;13H,5-12H2,1-4H3;12H,5-10H2,1-4H3;7-8H,5-6,9H2,1-4H3;4,6,8H,5,7,9H2,1-3H3;4-5,7H,6,8-9H2,1-3H3;11H,4-10H2,1-3H3;2*5-9H2,1-4H3;4-6H,7-9H2,1-3H3;4-5H,6-8H2,1-3H3;8-9,11H,4-7H2,1-3H3;9H,5-8H2,1-4H3;11H,5-8H2,1-4H3;7-8H,4-6H2,1-3H3
InChIKeyKOXYEWBKOVQCRZ-UHFFFAOYSA-N
XLogP21.83
TPSA330.63 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds15
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003073.70
LogP ≤ 521.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Analyze 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate?
The IUPAC name of 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate (CID 159198171) is 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate.
What is the SMILES notation for 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate?
The canonical SMILES for 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate is CC(=O)N1CCN2CCN(C(C)(C)C)CC2C1.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CC2NCCOC2C1.CC(C)(C)N1CCN2CCCCC2C1.CC(C)(C)N1CCc2cccnc2C1.CC(C)(C)N1CCc2ccncc2C1.CC(C)(C)N1CCn2cccc2C1.CC(C)(C)N1CCn2ccnc2C1.CC(C)(C)OC(=O)N1CCN2CCN(C(C)(C)C)CC2C1.CC1CCCCN1C(C)(C)C.COC(=O)CCN1CCN2CCN(C(C)(C)C)CC2C1.COCCN(CCO)C(C)(C)C.COCCN1CCN(C(C)(C)C)C(=O)C1.COCCN1CCN(C(C)(C)C)CC1=O.COc1cc2c(cn1)CCN(C(C)(C)C)C2.
What is the InChIKey of 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate?
The InChIKey is KOXYEWBKOVQCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.C15H29N3O2.C13H25N3O.C13H20N2O.2C12H18N2.C12H24N2.2C11H22N2O2.C11H18N2.C10H17N3.C10H20N2O.C10H21N.C9H21NO2.C9H17NO/c1-15(2,3)19-10-9-17-7-8-18(11-13(17)12-19)14(20)21-16(4,5)6;1-15(2,3)18-10-9-17-8-7-16(11-13(17)12-18)6-5-14(19)20-4;1-11(17)15-6-5-14-7-8-16(13(2,3)4)10-12(14)9-15;1-13(2,3)15-6-5-10-8-14-12(16-4)7-11(10)9-15;1-12(2,3)14-7-5-10-4-6-13-8-11(10)9-14;1-12(2,3)14-8-6-10-5-4-7-13-11(10)9-14;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-6-5-12(7-8-15-4)10(14)9-13;1-11(2,3)13-6-5-12(7-8-15-4)9-10(13)14;1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-10(2,3)13-7-6-12-5-4-11-9(12)8-13;1-10(2,3)12-6-8-9(7-12)13-5-4-11-8;1-9-7-5-6-8-11(9)10(2,3)4;1-9(2,3)10(5-7-11)6-8-12-4;1-9(2,3)10-5-8-4-7(10)6-11-8/h13H,7-12H2,1-6H3;13H,5-12H2,1-4H3;12H,5-10H2,1-4H3;7-8H,5-6,9H2,1-4H3;4,6,8H,5,7,9H2,1-3H3;4-5,7H,6,8-9H2,1-3H3;11H,4-10H2,1-3H3;2*5-9H2,1-4H3;4-6H,7-9H2,1-3H3;4-5H,6-8H2,1-3H3;8-9,11H,4-7H2,1-3H3;9H,5-8H2,1-4H3;11H,5-8H2,1-4H3;7-8H,4-6H2,1-3H3.
What are the key properties of 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate?
6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate has a molecular weight of 3073.70 g/mol, XLogP of 21.83, 15 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;tert-butyl 2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylate;7-tert-butyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-tert-butyl-3,4-dihydro-1H-2,7-naphthyridine;7-tert-butyl-6,8-dihydro-5H-1,7-naphthyridine;2-tert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-7-methoxy-3,4-dihydro-1H-2,6-naphthyridine;2-[tert-butyl(2-methoxyethyl)amino]ethanol;1-tert-butyl-4-(2-methoxyethyl)piperazin-2-one;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-2-methylpiperidine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;methyl 3-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)propanoate is sourced from PubChem (CID 159198171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).