(3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine

C139H268N24O10S — CID 158335275

About (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine

(3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine (PubChem CID 158335275) has the molecular formula C139H268N24O10S and a molecular weight of 2467.90 g/mol. Its IUPAC name is (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

• Compound Name: (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine
• PubChem CID: 158335275
• Molecular Formula: C139H268N24O10S
• Molecular Weight: 2467.90 g/mol
• Exact Mass: 2466.09
• IUPAC Name: (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine
• SMILES: CC(C)(C)NCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCN1C[C@@]2(C)CN(C(C)(C)C)C[C@@]2(C)C1.CC(C)(C)OCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.CC(C)(C)c1cnn(CCCN2CCN(C(C)(C)C)CC2)c1.CC(C)S(=O)(=O)CCN1CCN(C(C)(C)C)CC1.Cc1cnc(N2CCN(CCOC(C)(C)C)CC2)nc1
• InChI: InChI=1S/C19H33N3O.C19H38N2O2.C19H38N2O.C18H32N4O.C18H34N4.C18H39N3O2.C15H26N4O.C13H28N2O2S/c1-18(2,3)16-7-8-17(20-15-16)22-11-9-21(10-12-22)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-16(2,3)21-14-18(7)12-20(13-19(18,8)15-21)10-9-11-22-17(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)16-14-19-22(15-16)9-7-8-20-10-12-21(13-11-20)18(4,5)6;1-17(2,3)19-7-14-22-15-12-20-8-10-21(11-9-20)13-16-23-18(4,5)6;1-13-11-16-14(17-12-13)19-7-5-18(6-8-19)9-10-20-15(2,3)4;1-12(2)18(16,17)11-10-14-6-8-15(9-7-14)13(3,4)5/h7-8,15H,9-14H2,1-6H3;7-16H2,1-6H3;9-15H2,1-8H3;13-14H,7-12H2,1-6H3;14-15H,7-13H2,1-6H3;19H,7-16H2,1-6H3;11-12H,5-10H2,1-4H3;12H,6-11H2,1-5H3/t;;18-,19+
• InChIKey: GQMSVLBRCZMBNK-YDSZWQJASA-N
• XLogP: 20.58
• TPSA: 254.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 37
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2467.90
LogP ≤ 5	20.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?

The IUPAC name of (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine (CID 158335275) is (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine.

What is the SMILES notation for (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?

The canonical SMILES for (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine is CC(C)(C)NCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCN1C[C@@]2(C)CN(C(C)(C)C)C[C@@]2(C)C1.CC(C)(C)OCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.CC(C)(C)c1cnn(CCCN2CCN(C(C)(C)C)CC2)c1.CC(C)S(=O)(=O)CCN1CCN(C(C)(C)C)CC1.Cc1cnc(N2CCN(CCOC(C)(C)C)CC2)nc1.

What is the InChIKey of (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?

The InChIKey is GQMSVLBRCZMBNK-YDSZWQJASA-N. The full InChI is InChI=1S/C19H33N3O.C19H38N2O2.C19H38N2O.C18H32N4O.C18H34N4.C18H39N3O2.C15H26N4O.C13H28N2O2S/c1-18(2,3)16-7-8-17(20-15-16)22-11-9-21(10-12-22)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-16(2,3)21-14-18(7)12-20(13-19(18,8)15-21)10-9-11-22-17(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)16-14-19-22(15-16)9-7-8-20-10-12-21(13-11-20)18(4,5)6;1-17(2,3)19-7-14-22-15-12-20-8-10-21(11-9-20)13-16-23-18(4,5)6;1-13-11-16-14(17-12-13)19-7-5-18(6-8-19)9-10-20-15(2,3)4;1-12(2)18(16,17)11-10-14-6-8-15(9-7-14)13(3,4)5/h7-8,15H,9-14H2,1-6H3;7-16H2,1-6H3;9-15H2,1-8H3;13-14H,7-12H2,1-6H3;14-15H,7-13H2,1-6H3;19H,7-16H2,1-6H3;11-12H,5-10H2,1-4H3;12H,6-11H2,1-5H3/t;;18-,19+;;;;;.

What are the key properties of (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?

(3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 2467.90 g/mol, XLogP of 20.58, 37 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 158335275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).