(3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine

C227H465N27 — CID 164980719

IUPAC(3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine
SMILESCC(C)(C)N1C2CCC1CN(C(C)(C)C(C)(C)C)C2.CC(C)(C)N1CC2(C1)CN(C(C)(C)C(C)(C)C)C2.CC(C)(C)N1CC2CC1CN2C(C)(C)C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C(C)(C)C.CC(C)(C)N1CCC(C(C)(C)C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C(C)(C)C)CC12CC2.CC(C)(C)N1CCN(C(C)(C)C(C)(C)C)[C@@H]2C[C@@H]21.CC(C)(C)N1CCN(C(C)(C)C(C)(C)C)[C@H]2C[C@H]21.CC(C)(C)N1C[C@@H]2CN(C(C)(C)C(C)(C)C)C[C@@H]2C1.C[C@@H]1CN(C(C)(C)C(C)(C)C)CCN1C(C)(C)C.C[C@@H]1CN(C(C)(C)C)CCN1C(C)(C)C(C)(C)C.C[C@H]1CN(C(C)(C)C(C)(C)C)CCN1C(C)(C)C.C[C@H]1CN(C(C)(C)C)CCN1C(C)(C)C(C)(C)C
InChIInChI=1S/4C17H34N2.4C16H32N2.4C16H34N2.C16H33N.C15H32N2/c1-15(2,3)17(7,8)19-11-13-9-18(16(4,5)6)10-14(13)12-19;1-15(2,3)17(7,8)18-11-13-9-10-14(12-18)19(13)16(4,5)6;1-15(2,3)17(7,8)19-13-9-10-14(19)12-18(11-13)16(4,5)6;1-14(2,3)16(7,8)18-11-12-19(15(4,5)6)17(13-18)9-10-17;1-13(2,3)15(7,8)18-11-16(12-18)9-17(10-16)14(4,5)6;1-14(2,3)16(7,8)18-11-12-9-13(18)10-17(12)15(4,5)6;2*1-14(2,3)16(7,8)18-10-9-17(15(4,5)6)12-11-13(12)18;2*1-13-12-17(16(8,9)14(2,3)4)10-11-18(13)15(5,6)7;2*1-13-12-17(15(5,6)7)10-11-18(13)16(8,9)14(2,3)4;1-14(2,3)16(7,8)13-9-11-17(12-10-13)15(4,5)6;1-13(2,3)15(7,8)17-11-9-16(10-12-17)14(4,5)6/h3*13-14H,9-12H2,1-8H3;9-13H2,1-8H3;9-12H2,1-8H3;3*12-13H,9-11H2,1-8H3;4*13H,10-12H2,1-9H3;13H,9-12H2,1-8H3;9-12H2,1-8H3/t13-,14+;;;;;;2*12-,13+;4*13-;;/m......101010../s1
InChIKeyFLDYUIQTXFJMSE-XNFHYGJXSA-N
MW3573.41 g/mol
LogP50.34
Rot. Bonds14

About (3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine

(3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine (PubChem CID 164980719) has the molecular formula C227H465N27 and a molecular weight of 3573.41 g/mol. Its IUPAC name is (3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine.

Molecular Properties

Compound Name(3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine
PubChem CID164980719
Molecular FormulaC227H465N27
Molecular Weight3573.41 g/mol
Exact Mass3570.72
IUPAC Name(3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine
SMILESCC(C)(C)N1C2CCC1CN(C(C)(C)C(C)(C)C)C2.CC(C)(C)N1CC2(C1)CN(C(C)(C)C(C)(C)C)C2.CC(C)(C)N1CC2CC1CN2C(C)(C)C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C(C)(C)C.CC(C)(C)N1CCC(C(C)(C)C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C(C)(C)C)CC12CC2.CC(C)(C)N1CCN(C(C)(C)C(C)(C)C)[C@@H]2C[C@@H]21.CC(C)(C)N1CCN(C(C)(C)C(C)(C)C)[C@H]2C[C@H]21.CC(C)(C)N1C[C@@H]2CN(C(C)(C)C(C)(C)C)C[C@@H]2C1.C[C@@H]1CN(C(C)(C)C(C)(C)C)CCN1C(C)(C)C.C[C@@H]1CN(C(C)(C)C)CCN1C(C)(C)C(C)(C)C.C[C@H]1CN(C(C)(C)C(C)(C)C)CCN1C(C)(C)C.C[C@H]1CN(C(C)(C)C)CCN1C(C)(C)C(C)(C)C
InChIInChI=1S/4C17H34N2.4C16H32N2.4C16H34N2.C16H33N.C15H32N2/c1-15(2,3)17(7,8)19-11-13-9-18(16(4,5)6)10-14(13)12-19;1-15(2,3)17(7,8)18-11-13-9-10-14(12-18)19(13)16(4,5)6;1-15(2,3)17(7,8)19-13-9-10-14(19)12-18(11-13)16(4,5)6;1-14(2,3)16(7,8)18-11-12-19(15(4,5)6)17(13-18)9-10-17;1-13(2,3)15(7,8)18-11-16(12-18)9-17(10-16)14(4,5)6;1-14(2,3)16(7,8)18-11-12-9-13(18)10-17(12)15(4,5)6;2*1-14(2,3)16(7,8)18-10-9-17(15(4,5)6)12-11-13(12)18;2*1-13-12-17(16(8,9)14(2,3)4)10-11-18(13)15(5,6)7;2*1-13-12-17(15(5,6)7)10-11-18(13)16(8,9)14(2,3)4;1-14(2,3)16(7,8)13-9-11-17(12-10-13)15(4,5)6;1-13(2,3)15(7,8)17-11-9-16(10-12-17)14(4,5)6/h3*13-14H,9-12H2,1-8H3;9-13H2,1-8H3;9-12H2,1-8H3;3*12-13H,9-11H2,1-8H3;4*13H,10-12H2,1-9H3;13H,9-12H2,1-8H3;9-12H2,1-8H3/t13-,14+;;;;;;2*12-,13+;4*13-;;/m......101010../s1
InChIKeyFLDYUIQTXFJMSE-XNFHYGJXSA-N
XLogP50.34
TPSA87.48 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003573.41
LogP ≤ 550.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze (3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine?
The IUPAC name of (3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine (CID 164980719) is (3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine.
What is the SMILES notation for (3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine?
The canonical SMILES for (3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine is CC(C)(C)N1C2CCC1CN(C(C)(C)C(C)(C)C)C2.CC(C)(C)N1CC2(C1)CN(C(C)(C)C(C)(C)C)C2.CC(C)(C)N1CC2CC1CN2C(C)(C)C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C(C)(C)C.CC(C)(C)N1CCC(C(C)(C)C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C(C)(C)C)CC12CC2.CC(C)(C)N1CCN(C(C)(C)C(C)(C)C)[C@@H]2C[C@@H]21.CC(C)(C)N1CCN(C(C)(C)C(C)(C)C)[C@H]2C[C@H]21.CC(C)(C)N1C[C@@H]2CN(C(C)(C)C(C)(C)C)C[C@@H]2C1.C[C@@H]1CN(C(C)(C)C(C)(C)C)CCN1C(C)(C)C.C[C@@H]1CN(C(C)(C)C)CCN1C(C)(C)C(C)(C)C.C[C@H]1CN(C(C)(C)C(C)(C)C)CCN1C(C)(C)C.C[C@H]1CN(C(C)(C)C)CCN1C(C)(C)C(C)(C)C.
What is the InChIKey of (3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine?
The InChIKey is FLDYUIQTXFJMSE-XNFHYGJXSA-N. The full InChI is InChI=1S/4C17H34N2.4C16H32N2.4C16H34N2.C16H33N.C15H32N2/c1-15(2,3)17(7,8)19-11-13-9-18(16(4,5)6)10-14(13)12-19;1-15(2,3)17(7,8)18-11-13-9-10-14(12-18)19(13)16(4,5)6;1-15(2,3)17(7,8)19-13-9-10-14(19)12-18(11-13)16(4,5)6;1-14(2,3)16(7,8)18-11-12-19(15(4,5)6)17(13-18)9-10-17;1-13(2,3)15(7,8)18-11-16(12-18)9-17(10-16)14(4,5)6;1-14(2,3)16(7,8)18-11-12-9-13(18)10-17(12)15(4,5)6;2*1-14(2,3)16(7,8)18-10-9-17(15(4,5)6)12-11-13(12)18;2*1-13-12-17(16(8,9)14(2,3)4)10-11-18(13)15(5,6)7;2*1-13-12-17(15(5,6)7)10-11-18(13)16(8,9)14(2,3)4;1-14(2,3)16(7,8)13-9-11-17(12-10-13)15(4,5)6;1-13(2,3)15(7,8)17-11-9-16(10-12-17)14(4,5)6/h3*13-14H,9-12H2,1-8H3;9-13H2,1-8H3;9-12H2,1-8H3;3*12-13H,9-11H2,1-8H3;4*13H,10-12H2,1-9H3;13H,9-12H2,1-8H3;9-12H2,1-8H3/t13-,14+;;;;;;2*12-,13+;4*13-;;/m......101010../s1.
What are the key properties of (3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine?
(3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine has a molecular weight of 3573.41 g/mol, XLogP of 50.34, 14 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(2R)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-1-tert-butyl-2-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2S)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-4-tert-butyl-2-methyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,6R)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;(1R,6S)-2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[4.1.0]heptane;2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-3,8-diazabicyclo[3.2.1]octane;6-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-(2,3,3-trimethylbutan-2-yl)-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)piperidine is sourced from PubChem (CID 164980719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).