(3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine

C164H348N42 — CID 159044384

IUPAC(3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine
SMILESCCC1N(C)C[C@]12CCC2N.CCC1[C@@H](N)CN1C.CCC1[C@H](N)CN1C.CCC1[C@H]2C[C@H](C[C@H]2N)N1C.CC[C@@H]1C[C@@H](N)CN1C.CC[C@@H]1N(C)C[C@@H]2NCC[C@@]21C.CC[C@@H]1N(C)C[C@]12CCC2N.CC[C@@H]1[C@@H](N)CN1C.CC[C@@H]1[C@@H]2NCC[C@@H]2CN1C.CC[C@@H]1[C@H](N)CCN1C.CC[C@@H]1[C@H](N)CN1C.CC[C@@H]1[C@H]2CCN[C@H]2CN1C.CC[C@@H]1[C@H]2C[C@H](C[C@H]2N)N1C.CC[C@H]1C[C@@H](N)CN1C.CC[C@H]1N(C)C[C@]12CCC2N.CC[C@H]1[C@@H](N)CN1C.CC[C@H]1[C@@H]2NCC[C@@H]2CN1C.CC[C@H]1[C@H](N)CCN1C.CC[C@H]1[C@H](N)CN1C.CC[C@H]1[C@H]2C[C@H](C[C@H]2N)N1C.CC[C@]12C[C@H](CN1C)[C@H](N)C2
InChIInChI=1S/C10H20N2.10C9H18N2.4C7H16N2.6C6H14N2/c1-4-9-10(2)5-6-11-8(10)7-12(9)3;1-3-9-4-7(6-11(9)2)8(10)5-9;3*1-3-9-7-4-6(11(9)2)5-8(7)10;1-3-9-7-4-5-10-8(7)6-11(9)2;3*1-3-8-9(6-11(8)2)5-4-7(9)10;2*1-3-8-9-7(4-5-10-9)6-11(8)2;2*1-3-7-4-6(8)5-9(7)2;2*1-3-7-6(8)4-5-9(7)2;6*1-3-6-5(7)4-8(6)2/h8-9,11H,4-7H2,1-3H3;7-8H,3-6,10H2,1-2H3;3*6-9H,3-5,10H2,1-2H3;7-10H,3-6H2,1-2H3;3*7-8H,3-6,10H2,1-2H3;2*7-10H,3-6H2,1-2H3;4*6-7H,3-5,8H2,1-2H3;6*5-6H,3-4,7H2,1-2H3/t8-,9-,10-;7-,8-,9-;6-,7+,8-,9?;6-,7+,8-,9+;6-,7+,8-,9-;7-,8-,9+;7?,8?,9-;7?,8-,9+;7?,8-,9-;7-,8+,9-;7-,8-,9-;6-,7+;6-,7-;6-,7+;6-,7-;2*5-,6?;2*5-,6+;2*5-,6-/m011110010111111101010/s1
InChIKeyJWLUXVISTWNIEU-PHROZUQRSA-N
MW2908.88 g/mol
LogP10.80
Rot. Bonds21

About (3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine

(3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine (PubChem CID 159044384) has the molecular formula C164H348N42 and a molecular weight of 2908.88 g/mol. Its IUPAC name is (3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine
PubChem CID159044384
Molecular FormulaC164H348N42
Molecular Weight2908.88 g/mol
Exact Mass2906.85
IUPAC Name(3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine
SMILESCCC1N(C)C[C@]12CCC2N.CCC1[C@@H](N)CN1C.CCC1[C@H](N)CN1C.CCC1[C@H]2C[C@H](C[C@H]2N)N1C.CC[C@@H]1C[C@@H](N)CN1C.CC[C@@H]1N(C)C[C@@H]2NCC[C@@]21C.CC[C@@H]1N(C)C[C@]12CCC2N.CC[C@@H]1[C@@H](N)CN1C.CC[C@@H]1[C@@H]2NCC[C@@H]2CN1C.CC[C@@H]1[C@H](N)CCN1C.CC[C@@H]1[C@H](N)CN1C.CC[C@@H]1[C@H]2CCN[C@H]2CN1C.CC[C@@H]1[C@H]2C[C@H](C[C@H]2N)N1C.CC[C@H]1C[C@@H](N)CN1C.CC[C@H]1N(C)C[C@]12CCC2N.CC[C@H]1[C@@H](N)CN1C.CC[C@H]1[C@@H]2NCC[C@@H]2CN1C.CC[C@H]1[C@H](N)CCN1C.CC[C@H]1[C@H](N)CN1C.CC[C@H]1[C@H]2C[C@H](C[C@H]2N)N1C.CC[C@]12C[C@H](CN1C)[C@H](N)C2
InChIInChI=1S/C10H20N2.10C9H18N2.4C7H16N2.6C6H14N2/c1-4-9-10(2)5-6-11-8(10)7-12(9)3;1-3-9-4-7(6-11(9)2)8(10)5-9;3*1-3-9-7-4-6(11(9)2)5-8(7)10;1-3-9-7-4-5-10-8(7)6-11(9)2;3*1-3-8-9(6-11(8)2)5-4-7(9)10;2*1-3-8-9-7(4-5-10-9)6-11(8)2;2*1-3-7-4-6(8)5-9(7)2;2*1-3-7-6(8)4-5-9(7)2;6*1-3-6-5(7)4-8(6)2/h8-9,11H,4-7H2,1-3H3;7-8H,3-6,10H2,1-2H3;3*6-9H,3-5,10H2,1-2H3;7-10H,3-6H2,1-2H3;3*7-8H,3-6,10H2,1-2H3;2*7-10H,3-6H2,1-2H3;4*6-7H,3-5,8H2,1-2H3;6*5-6H,3-4,7H2,1-2H3/t8-,9-,10-;7-,8-,9-;6-,7+,8-,9?;6-,7+,8-,9+;6-,7+,8-,9-;7-,8-,9+;7?,8?,9-;7?,8-,9+;7?,8-,9-;7-,8+,9-;7-,8-,9-;6-,7+;6-,7-;6-,7+;6-,7-;2*5-,6?;2*5-,6+;2*5-,6-/m011110010111111101010/s1
InChIKeyJWLUXVISTWNIEU-PHROZUQRSA-N
XLogP10.80
TPSA558.50 Ų
H-Bond Donors21
H-Bond Acceptors42
Rotatable Bonds21
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002908.88
LogP ≤ 510.80
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1042

Analyze (3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine with MolForge

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What is the IUPAC name of (3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine?
The IUPAC name of (3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine (CID 159044384) is (3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine is CCC1N(C)C[C@]12CCC2N.CCC1[C@@H](N)CN1C.CCC1[C@H](N)CN1C.CCC1[C@H]2C[C@H](C[C@H]2N)N1C.CC[C@@H]1C[C@@H](N)CN1C.CC[C@@H]1N(C)C[C@@H]2NCC[C@@]21C.CC[C@@H]1N(C)C[C@]12CCC2N.CC[C@@H]1[C@@H](N)CN1C.CC[C@@H]1[C@@H]2NCC[C@@H]2CN1C.CC[C@@H]1[C@H](N)CCN1C.CC[C@@H]1[C@H](N)CN1C.CC[C@@H]1[C@H]2CCN[C@H]2CN1C.CC[C@@H]1[C@H]2C[C@H](C[C@H]2N)N1C.CC[C@H]1C[C@@H](N)CN1C.CC[C@H]1N(C)C[C@]12CCC2N.CC[C@H]1[C@@H](N)CN1C.CC[C@H]1[C@@H]2NCC[C@@H]2CN1C.CC[C@H]1[C@H](N)CCN1C.CC[C@H]1[C@H](N)CN1C.CC[C@H]1[C@H]2C[C@H](C[C@H]2N)N1C.CC[C@]12C[C@H](CN1C)[C@H](N)C2.
What is the InChIKey of (3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine?
The InChIKey is JWLUXVISTWNIEU-PHROZUQRSA-N. The full InChI is InChI=1S/C10H20N2.10C9H18N2.4C7H16N2.6C6H14N2/c1-4-9-10(2)5-6-11-8(10)7-12(9)3;1-3-9-4-7(6-11(9)2)8(10)5-9;3*1-3-9-7-4-6(11(9)2)5-8(7)10;1-3-9-7-4-5-10-8(7)6-11(9)2;3*1-3-8-9(6-11(8)2)5-4-7(9)10;2*1-3-8-9-7(4-5-10-9)6-11(8)2;2*1-3-7-4-6(8)5-9(7)2;2*1-3-7-6(8)4-5-9(7)2;6*1-3-6-5(7)4-8(6)2/h8-9,11H,4-7H2,1-3H3;7-8H,3-6,10H2,1-2H3;3*6-9H,3-5,10H2,1-2H3;7-10H,3-6H2,1-2H3;3*7-8H,3-6,10H2,1-2H3;2*7-10H,3-6H2,1-2H3;4*6-7H,3-5,8H2,1-2H3;6*5-6H,3-4,7H2,1-2H3/t8-,9-,10-;7-,8-,9-;6-,7+,8-,9?;6-,7+,8-,9+;6-,7+,8-,9-;7-,8-,9+;7?,8?,9-;7?,8-,9+;7?,8-,9-;7-,8+,9-;7-,8-,9-;6-,7+;6-,7-;6-,7+;6-,7-;2*5-,6?;2*5-,6+;2*5-,6-/m011110010111111101010/s1.
What are the key properties of (3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine?
(3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine has a molecular weight of 2908.88 g/mol, XLogP of 10.80, 21 rotatable bonds, 21 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,6aR)-4-ethyl-3a,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6S,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aR,6R,6aR)-6-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole;(3aS,4R,6aR)-4-ethyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;(1R,3R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,3S,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(1R,4S,5R)-3-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;(3R,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(3S,4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(4S)-3-ethyl-2-methyl-2-azaspiro[3.3]heptan-7-amine;(2S,3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylazetidin-3-amine;(2R,3S)-2-ethyl-1-methylazetidin-3-amine;(2R,3R)-2-ethyl-1-methylazetidin-3-amine;(3R)-2-ethyl-1-methylazetidin-3-amine;(3S)-2-ethyl-1-methylazetidin-3-amine;(2S,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(2R,3R)-2-ethyl-1-methylpyrrolidin-3-amine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;(3R,5S)-5-ethyl-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 159044384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).