(8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine

C189H382N38O — CID 159523083

IUPAC(8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
SMILESCC(C)N1CC2(CCNC2)C1.CC(C)N1CC2(CCNCC2)C1.CC(C)N1CC2(CN(C)C2)C1.CC(C)N1CC2(CNC2)C1.CC(C)N1CC2CC3CNCC32C1.CC(C)N1CC2CN(C)CC2C1.CC(C)N1CC2CNC2C1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N2CCCC2)C1.CC(C)N1CCCN(C)CC1.CC(C)N1CCCNCC1.CC(C)N1CCN2CCCC2(C)C1.CC(C)N1CCN2CCC[C@@H]2C1.CC(C)N1CCN2CCC[C@@]2(C)C1.CC(C)N1CCN2CCC[C@H]2C1.CC(C)N1CCN2CCC[C@]2(C)C1.CC(C)N1CC[C@@H](N2CCCC2)C1.CC(C)N1CC[C@H](N2CCCC2)C1.COC1CN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C12H24N2O.C11H20N2.6C11H22N2.4C10H20N2.2C9H18N2.2C9H20N2.2C8H16N2.C8H18N2/c1-10(2)13-6-4-11(5-7-13)14-8-12(9-14)15-3;1-8(2)13-5-10-3-9-4-12-6-11(9,10)7-13;3*1-10(2)12-7-8-13-6-4-5-11(13,3)9-12;3*1-10(2)13-8-5-11(9-13)12-6-3-4-7-12;1-8(2)12-6-9-4-11(3)5-10(9)7-12;1-9(2)12-7-10(8-12)3-5-11-6-4-10;2*1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)11-6-9(7-11)4-10(3)5-9;1-8(2)11-6-9(7-11)3-4-10-5-9;1-8(2)11-6-5-9(7-11)10(3)4;1-9(2)11-6-4-5-10(3)7-8-11;1-7(2)10-5-8(6-10)3-9-4-8;1-6(2)10-4-7-3-9-8(7)5-10;1-8(2)10-6-3-4-9-5-7-10/h10-12H,4-9H2,1-3H3;8-10,12H,3-7H2,1-2H3;3*10H,4-9H2,1-3H3;3*10-11H,3-9H2,1-2H3;8-10H,4-7H2,1-3H3;9,11H,3-8H2,1-2H3;2*9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;8,10H,3-7H2,1-2H3;8-9H,5-7H2,1-4H3;9H,4-8H2,1-3H3;7,9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;8-9H,3-7H2,1-2H3/t;;2*11-;;2*11-;;;;2*10-;;;;;;;/m..10.10...10......./s1
InChIKeyMCAYYHZGOCHLFU-NBMMWFIVSA-N
MW3203.40 g/mol
LogP20.52
Rot. Bonds25

About (8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine

(8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 159523083) has the molecular formula C189H382N38O and a molecular weight of 3203.40 g/mol. Its IUPAC name is (8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name(8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
PubChem CID159523083
Molecular FormulaC189H382N38O
Molecular Weight3203.40 g/mol
Exact Mass3201.10
IUPAC Name(8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
SMILESCC(C)N1CC2(CCNC2)C1.CC(C)N1CC2(CCNCC2)C1.CC(C)N1CC2(CN(C)C2)C1.CC(C)N1CC2(CNC2)C1.CC(C)N1CC2CC3CNCC32C1.CC(C)N1CC2CN(C)CC2C1.CC(C)N1CC2CNC2C1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N2CCCC2)C1.CC(C)N1CCCN(C)CC1.CC(C)N1CCCNCC1.CC(C)N1CCN2CCCC2(C)C1.CC(C)N1CCN2CCC[C@@H]2C1.CC(C)N1CCN2CCC[C@@]2(C)C1.CC(C)N1CCN2CCC[C@H]2C1.CC(C)N1CCN2CCC[C@]2(C)C1.CC(C)N1CC[C@@H](N2CCCC2)C1.CC(C)N1CC[C@H](N2CCCC2)C1.COC1CN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C12H24N2O.C11H20N2.6C11H22N2.4C10H20N2.2C9H18N2.2C9H20N2.2C8H16N2.C8H18N2/c1-10(2)13-6-4-11(5-7-13)14-8-12(9-14)15-3;1-8(2)13-5-10-3-9-4-12-6-11(9,10)7-13;3*1-10(2)12-7-8-13-6-4-5-11(13,3)9-12;3*1-10(2)13-8-5-11(9-13)12-6-3-4-7-12;1-8(2)12-6-9-4-11(3)5-10(9)7-12;1-9(2)12-7-10(8-12)3-5-11-6-4-10;2*1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)11-6-9(7-11)4-10(3)5-9;1-8(2)11-6-9(7-11)3-4-10-5-9;1-8(2)11-6-5-9(7-11)10(3)4;1-9(2)11-6-4-5-10(3)7-8-11;1-7(2)10-5-8(6-10)3-9-4-8;1-6(2)10-4-7-3-9-8(7)5-10;1-8(2)10-6-3-4-9-5-7-10/h10-12H,4-9H2,1-3H3;8-10,12H,3-7H2,1-2H3;3*10H,4-9H2,1-3H3;3*10-11H,3-9H2,1-2H3;8-10H,4-7H2,1-3H3;9,11H,3-8H2,1-2H3;2*9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;8,10H,3-7H2,1-2H3;8-9H,5-7H2,1-4H3;9H,4-8H2,1-3H3;7,9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;8-9H,3-7H2,1-2H3/t;;2*11-;;2*11-;;;;2*10-;;;;;;;/m..10.10...10......./s1
InChIKeyMCAYYHZGOCHLFU-NBMMWFIVSA-N
XLogP20.52
TPSA185.09 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds25
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003203.40
LogP ≤ 520.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze (8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of (8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine (CID 159523083) is (8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for (8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for (8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine is CC(C)N1CC2(CCNC2)C1.CC(C)N1CC2(CCNCC2)C1.CC(C)N1CC2(CN(C)C2)C1.CC(C)N1CC2(CNC2)C1.CC(C)N1CC2CC3CNCC32C1.CC(C)N1CC2CN(C)CC2C1.CC(C)N1CC2CNC2C1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N2CCCC2)C1.CC(C)N1CCCN(C)CC1.CC(C)N1CCCNCC1.CC(C)N1CCN2CCCC2(C)C1.CC(C)N1CCN2CCC[C@@H]2C1.CC(C)N1CCN2CCC[C@@]2(C)C1.CC(C)N1CCN2CCC[C@H]2C1.CC(C)N1CCN2CCC[C@]2(C)C1.CC(C)N1CC[C@@H](N2CCCC2)C1.CC(C)N1CC[C@H](N2CCCC2)C1.COC1CN(C2CCN(C(C)C)CC2)C1.
What is the InChIKey of (8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is MCAYYHZGOCHLFU-NBMMWFIVSA-N. The full InChI is InChI=1S/C12H24N2O.C11H20N2.6C11H22N2.4C10H20N2.2C9H18N2.2C9H20N2.2C8H16N2.C8H18N2/c1-10(2)13-6-4-11(5-7-13)14-8-12(9-14)15-3;1-8(2)13-5-10-3-9-4-12-6-11(9,10)7-13;3*1-10(2)12-7-8-13-6-4-5-11(13,3)9-12;3*1-10(2)13-8-5-11(9-13)12-6-3-4-7-12;1-8(2)12-6-9-4-11(3)5-10(9)7-12;1-9(2)12-7-10(8-12)3-5-11-6-4-10;2*1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)11-6-9(7-11)4-10(3)5-9;1-8(2)11-6-9(7-11)3-4-10-5-9;1-8(2)11-6-5-9(7-11)10(3)4;1-9(2)11-6-4-5-10(3)7-8-11;1-7(2)10-5-8(6-10)3-9-4-8;1-6(2)10-4-7-3-9-8(7)5-10;1-8(2)10-6-3-4-9-5-7-10/h10-12H,4-9H2,1-3H3;8-10,12H,3-7H2,1-2H3;3*10H,4-9H2,1-3H3;3*10-11H,3-9H2,1-2H3;8-10H,4-7H2,1-3H3;9,11H,3-8H2,1-2H3;2*9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;8,10H,3-7H2,1-2H3;8-9H,5-7H2,1-4H3;9H,4-8H2,1-3H3;7,9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;8-9H,3-7H2,1-2H3/t;;2*11-;;2*11-;;;;2*10-;;;;;;;/m..10.10...10......./s1.
What are the key properties of (8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
(8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 3203.40 g/mol, XLogP of 20.52, 25 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-4-propan-2-yl-1,4-diazepane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 159523083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).