(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine

C96H194N18O — CID 162037082

IUPAC(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
SMILESCC(C)C1CN(C(C)C)CCN1.CC(C)N1CCN2CCCC2(C)C1.CC(C)N1CCN2CCCC2C1.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.COC1CN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C12H24N2O.4C11H22N2.3C10H20N2.C10H22N2/c1-10(2)13-6-4-11(5-7-13)14-8-12(9-14)15-3;3*1-10(2)12-7-8-13-6-4-5-11(13,3)9-12;1-10(2)13-8-5-11(9-13)12-6-3-4-7-12;3*1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)10-7-12(9(3)4)6-5-11-10/h10-12H,4-9H2,1-3H3;3*10H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;3*9-10H,3-8H2,1-2H3;8-11H,5-7H2,1-4H3/t;2*11-;;11-;2*10-;;/m.10.110../s1
InChIKeyYWUCKPXZLIZCNR-XSOJNLNDSA-N
MW1616.73 g/mol
LogP12.30
Rot. Bonds13

About (8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine

(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 162037082) has the molecular formula C96H194N18O and a molecular weight of 1616.73 g/mol. Its IUPAC name is (8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
PubChem CID162037082
Molecular FormulaC96H194N18O
Molecular Weight1616.73 g/mol
Exact Mass1615.57
IUPAC Name(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
SMILESCC(C)C1CN(C(C)C)CCN1.CC(C)N1CCN2CCCC2(C)C1.CC(C)N1CCN2CCCC2C1.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.COC1CN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C12H24N2O.4C11H22N2.3C10H20N2.C10H22N2/c1-10(2)13-6-4-11(5-7-13)14-8-12(9-14)15-3;3*1-10(2)12-7-8-13-6-4-5-11(13,3)9-12;1-10(2)13-8-5-11(9-13)12-6-3-4-7-12;3*1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)10-7-12(9(3)4)6-5-11-10/h10-12H,4-9H2,1-3H3;3*10H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;3*9-10H,3-8H2,1-2H3;8-11H,5-7H2,1-4H3/t;2*11-;;11-;2*10-;;/m.10.110../s1
InChIKeyYWUCKPXZLIZCNR-XSOJNLNDSA-N
XLogP12.30
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001616.73
LogP ≤ 512.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze (8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;N-tert-butyl-N,1-dimethylpyrrolidin-3-amine;6-tert-butyl-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-4-methylpiperazine;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;1-tert-butyl-N,N,4-trimethylpyrrolidin-3-amine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine;ethane;methane;1-methyl-4-propan-2-yl-1,4-diazepane
CID 157319407
1,2-dimethylazetidine;1,3-dimethylazetidine;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;bis(1,3-dimethylpyrrolidine);4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,1-trimethylpyrrolidin-3-amine;1,2,4-trimethylpyrrolidine
CID 157485361
N,N-diethyl-3-methylbutan-2-amine;N,N-diethyl-1-(3-methylbutan-2-yl)pyrrolidin-3-amine;N,3-dimethylbutan-2-amine;N,N-dimethyl-1-(3-methylbutan-2-yl)pyrrolidin-3-amine;N-ethyl-N,3-dimethylbutan-2-amine;bis(N-ethyl-3-methylbutan-2-amine);1-ethyl-4-(3-methylbutan-2-yl)piperazine;N-ethyl-N-methyl-1-(3-methylbutan-2-yl)pyrrolidin-3-amine;1-(3-methylbutan-2-yl)azetidine;N-(3-methylbutan-2-yl)cyclopropanamine;4-(3-methylbutan-2-yl)morpholine;bis(1-(3-methylbutan-2-yl)piperidine);1-(3-methylbutan-2-yl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperazine;3-methyl-N-propan-2-ylbutan-2-amine;3-methyl-N-propylbutan-2-amine;N,N,3-trimethylbutan-2-amine
CID 157861419
8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 158696438
4,6-di(propan-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine;2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,1-di(propan-2-yl)azetidin-3-amine;1,6-di(propan-2-yl)-1,6-diazaspiro[3.3]heptane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-5-oxa-2,8-diazaspiro[3.5]nonane;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-4-amine);1,4-di(propan-2-yl)piperidine;N,1-di(propan-2-yl)pyrrolidin-3-amine;N-methyl-N,1-di(propan-2-yl)azetidin-3-amine;N-methyl-N,1-di(propan-2-yl)piperidin-3-amine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 159984004
6-methyl-4-propan-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine;6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-6-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-methyl-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane
CID 160328130
(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;4-(azetidin-1-yl)-1-tert-butylpiperidine;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-amine;1-tert-butyl-N-methylpyrrolidin-3-amine;1-tert-butylpiperidine;(2R,6S)-4-(1-tert-butylpiperidin-4-yl)-2,6-dimethylmorpholine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;bis(1-tert-butyl-4-piperidin-1-ylpiperidine);1-tert-butyl-4-pyrrolidin-1-ylpiperidine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane
CID 160956922
N,4-dimethyl-N,1-di(propan-2-yl)piperidin-3-amine;4,6-di(propan-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine;2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,6-di(propan-2-yl)-1,6-diazaspiro[3.3]heptane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;bis(2,8-di(propan-2-yl)-5-oxa-2,8-diazaspiro[3.5]nonane);bis(N,1-di(propan-2-yl)piperidin-4-amine);1,4-di(propan-2-yl)piperidine;bis(N-methyl-N,1-di(propan-2-yl)azetidin-3-amine);2-methyl-1,4-di(propan-2-yl)piperazine;4-methyl-N,1-di(propan-2-yl)pyrrolidin-3-amine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 161078420
1,2-dimethylazetidine;1,3-dimethylazetidine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;bis((3R)-1,3-dimethylpyrrolidine);bis((3S)-1,3-dimethylpyrrolidine);methane;(2S,4R)-4-methoxy-1,2-dimethylpyrrolidine;methylcyclobutane;1-methylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;(2R)-2-methylpyrrolidine;N,N,1-trimethylpiperidin-4-amine;(3S)-N,N,1-trimethylpyrrolidin-3-amine;(3R)-N,N,1-trimethylpyrrolidin-3-amine;(2S,4R)-1,2,4-trimethylpyrrolidine;(2S,4S)-1,2,4-trimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine;(2R,4S)-1,2,4-trimethylpyrrolidine
CID 161744922
1-cyclopentyl-4-methylpiperazine;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;2-(3,4-dimethylpiperazin-1-yl)-N,N-dimethylethanamine;1-(2-fluoroethyl)-4-methylpiperazine;6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(7-methyl-1,7-diazaspiro[4.4]nonane);2-(4-methylpiperazin-1-yl)ethanamine;2-(4-methylpiperazin-1-yl)ethanol;4-(1-methylpiperidin-4-yl)morpholine;1-(1-methylpiperidin-4-yl)piperazine
CID 161906164

Frequently Asked Questions

What is the IUPAC name of (8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of (8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine (CID 162037082) is (8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for (8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for (8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine is CC(C)C1CN(C(C)C)CCN1.CC(C)N1CCN2CCCC2(C)C1.CC(C)N1CCN2CCCC2C1.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.COC1CN(C2CCN(C(C)C)CC2)C1.
What is the InChIKey of (8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is YWUCKPXZLIZCNR-XSOJNLNDSA-N. The full InChI is InChI=1S/C12H24N2O.4C11H22N2.3C10H20N2.C10H22N2/c1-10(2)13-6-4-11(5-7-13)14-8-12(9-14)15-3;3*1-10(2)12-7-8-13-6-4-5-11(13,3)9-12;1-10(2)13-8-5-11(9-13)12-6-3-4-7-12;3*1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)10-7-12(9(3)4)6-5-11-10/h10-12H,4-9H2,1-3H3;3*10H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;3*9-10H,3-8H2,1-2H3;8-11H,5-7H2,1-4H3/t;2*11-;;11-;2*10-;;/m.10.110../s1.
What are the key properties of (8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
(8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 1616.73 g/mol, XLogP of 12.30, 13 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;(8aS)-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;1,3-di(propan-2-yl)piperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(3R)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 162037082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).