(3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine

C157H240N30O5 — CID 159145500

IUPAC(3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
SMILESCC(C)c1ccc(N2CCOC3CNCC32)cn1.CC(C)c1ccc(N2CCO[C@@H]3CNC[C@@H]32)cn1.CC(C)c1ccc(N2CCO[C@@H]3CNC[C@H]32)cn1.CC(C)c1ccc(N2CCO[C@H]3CNC[C@@H]32)cn1.CC(C)c1ccc(N2CCO[C@H]3CNC[C@H]32)cn1.CC(C)c1ccc2c(n1)C(N(C)C)CCC2.CC(C)c1ccc2c(n1)C(N(C)C)CCC2.CC(C)c1ccc2c(n1)[C@@H](N(C)C)CCC2.CC(C)c1cccc(N2CC[C@@H]3CN(C)C[C@H]32)n1.CC(C)c1cccc(N2CC[C@H]3CN(C)C[C@@H]32)n1.CC(C)c1cccc(N2CC[C@H]3CN(C)C[C@H]32)n1
InChIInChI=1S/3C15H23N3.5C14H21N3O.3C14H22N2/c3*1-11(2)13-5-4-6-15(16-13)18-8-7-12-9-17(3)10-14(12)18;5*1-10(2)12-4-3-11(7-16-12)17-5-6-18-14-9-15-8-13(14)17;3*1-10(2)12-9-8-11-6-5-7-13(16(3)4)14(11)15-12/h3*4-6,11-12,14H,7-10H2,1-3H3;5*3-4,7,10,13-15H,5-6,8-9H2,1-2H3;3*8-10,13H,5-7H2,1-4H3/t12-,14+;2*12-,14-;2*13-,14+;2*13-,14-;;13-;;/m0101010.0../s1
InChIKeyKIPZZRSRXDACPK-SDFZFCCSSA-N
MW2627.85 g/mol
LogP23.38
Rot. Bonds22

About (3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine

(3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine (PubChem CID 159145500) has the molecular formula C157H240N30O5 and a molecular weight of 2627.85 g/mol. Its IUPAC name is (3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name(3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
PubChem CID159145500
Molecular FormulaC157H240N30O5
Molecular Weight2627.85 g/mol
Exact Mass2625.94
IUPAC Name(3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
SMILESCC(C)c1ccc(N2CCOC3CNCC32)cn1.CC(C)c1ccc(N2CCO[C@@H]3CNC[C@@H]32)cn1.CC(C)c1ccc(N2CCO[C@@H]3CNC[C@H]32)cn1.CC(C)c1ccc(N2CCO[C@H]3CNC[C@@H]32)cn1.CC(C)c1ccc(N2CCO[C@H]3CNC[C@H]32)cn1.CC(C)c1ccc2c(n1)C(N(C)C)CCC2.CC(C)c1ccc2c(n1)C(N(C)C)CCC2.CC(C)c1ccc2c(n1)[C@@H](N(C)C)CCC2.CC(C)c1cccc(N2CC[C@@H]3CN(C)C[C@H]32)n1.CC(C)c1cccc(N2CC[C@H]3CN(C)C[C@@H]32)n1.CC(C)c1cccc(N2CC[C@H]3CN(C)C[C@H]32)n1
InChIInChI=1S/3C15H23N3.5C14H21N3O.3C14H22N2/c3*1-11(2)13-5-4-6-15(16-13)18-8-7-12-9-17(3)10-14(12)18;5*1-10(2)12-4-3-11(7-16-12)17-5-6-18-14-9-15-8-13(14)17;3*1-10(2)12-9-8-11-6-5-7-13(16(3)4)14(11)15-12/h3*4-6,11-12,14H,7-10H2,1-3H3;5*3-4,7,10,13-15H,5-6,8-9H2,1-2H3;3*8-10,13H,5-7H2,1-4H3/t12-,14+;2*12-,14-;2*13-,14+;2*13-,14-;;13-;;/m0101010.0../s1
InChIKeyKIPZZRSRXDACPK-SDFZFCCSSA-N
XLogP23.38
TPSA293.45 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds22
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002627.85
LogP ≤ 523.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze (3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine with MolForge

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Related Compounds

(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(1-methyl-3-propan-2-ylpyrazol-5-yl)oxan-4-ol;tris(6-(6-propan-2-yl-2-pyridinyl)-1,6-diazaspiro[3.3]heptane)
CID 157166068
(3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 170682158
bis((3aR,6aS)-5-(6-propan-2-yl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole);(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-(6-propan-2-yl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(5R)-9-(6-propan-2-yl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one;(5S)-9-(6-propan-2-yl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one;9-(6-propan-2-yl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 160561075
1-[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]-N-ethylethanamine
CID 83110270
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol
CID 83132541
(1R)-1-[5-(2-cyclopentylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83132239
2-propan-2-yl-4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 172576254
(1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]ethanol
CID 83132593
(1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine
CID 103937555
(3aR,6aR)-5-methyl-1-[4-(4-pyrimidin-5-ylpiperazin-1-yl)phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 24743743
N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine
CID 153422507
(3aR,6aR)-5-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 24743784

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The IUPAC name of (3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine (CID 159145500) is (3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine.
What is the SMILES notation for (3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The canonical SMILES for (3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine is CC(C)c1ccc(N2CCOC3CNCC32)cn1.CC(C)c1ccc(N2CCO[C@@H]3CNC[C@@H]32)cn1.CC(C)c1ccc(N2CCO[C@@H]3CNC[C@H]32)cn1.CC(C)c1ccc(N2CCO[C@H]3CNC[C@@H]32)cn1.CC(C)c1ccc(N2CCO[C@H]3CNC[C@H]32)cn1.CC(C)c1ccc2c(n1)C(N(C)C)CCC2.CC(C)c1ccc2c(n1)C(N(C)C)CCC2.CC(C)c1ccc2c(n1)[C@@H](N(C)C)CCC2.CC(C)c1cccc(N2CC[C@@H]3CN(C)C[C@H]32)n1.CC(C)c1cccc(N2CC[C@H]3CN(C)C[C@@H]32)n1.CC(C)c1cccc(N2CC[C@H]3CN(C)C[C@H]32)n1.
What is the InChIKey of (3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The InChIKey is KIPZZRSRXDACPK-SDFZFCCSSA-N. The full InChI is InChI=1S/3C15H23N3.5C14H21N3O.3C14H22N2/c3*1-11(2)13-5-4-6-15(16-13)18-8-7-12-9-17(3)10-14(12)18;5*1-10(2)12-4-3-11(7-16-12)17-5-6-18-14-9-15-8-13(14)17;3*1-10(2)12-9-8-11-6-5-7-13(16(3)4)14(11)15-12/h3*4-6,11-12,14H,7-10H2,1-3H3;5*3-4,7,10,13-15H,5-6,8-9H2,1-2H3;3*8-10,13H,5-7H2,1-4H3/t12-,14+;2*12-,14-;2*13-,14+;2*13-,14-;;13-;;/m0101010.0../s1.
What are the key properties of (3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
(3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine has a molecular weight of 2627.85 g/mol, XLogP of 23.38, 22 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine is sourced from PubChem (CID 159145500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).