(3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;tetrakis(2-methylpropane)

C135H288N20O7S2 — CID 167665986

About (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;tetrakis(2-methylpropane)

(3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;tetrakis(2-methylpropane) (PubChem CID 167665986) has the molecular formula C135H288N20O7S2 and a molecular weight of 2368.06 g/mol. Its IUPAC name is (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;tetrakis(2-methylpropane).

Molecular Properties

• Compound Name: (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;tetrakis(2-methylpropane)
• PubChem CID: 167665986
• Molecular Formula: C135H288N20O7S2
• Molecular Weight: 2368.06 g/mol
• Exact Mass: 2366.22
• IUPAC Name: (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;tetrakis(2-methylpropane)
• SMILES: C.C.CC(C)(C)C1CCN(CN2CCNCC2)CC1.CC(C)(C)N1CCC(CN2CCNCC2)CC1.CC(C)(C)N1CCN(CCO)CC1.CC(C)(C)N1CCN(CCS)CC1.CC(C)(C)NCCOCCN1CCN(CCOC(C)(C)C)CC1.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.CC(C)C.CC(C)C.CC(C)C.CC(C)S(=O)(=O)CCN1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/C19H33N3O.C19H38N2O.C18H39N3O2.2C14H29N3.C13H28N2O2S.C10H22N2O.C10H22N2S.4C4H10.2CH4/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;1-16(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)19-7-14-22-15-12-20-8-10-21(11-9-20)13-16-23-18(4,5)6;1-14(2,3)13-4-8-16(9-5-13)12-17-10-6-15-7-11-17;1-14(2,3)17-8-4-13(5-9-17)12-16-10-6-15-7-11-16;1-12(2)18(16,17)11-10-14-6-8-15(9-7-14)13(3,4)5;2*1-10(2,3)12-6-4-11(5-7-12)8-9-13;4*1-4(2)3;;/h7-8,15H,9-14H2,1-6H3;9-15H2,1-8H3;19H,7-16H2,1-6H3;2*13,15H,4-12H2,1-3H3;12H,6-11H2,1-5H3;2*13H,4-9H2,1-3H3;4*4H,1-3H3;2*1H4/t;18-,19+
• InChIKey: SQLUCPZVULWFSS-MAKVIECYSA-N
• XLogP: 22.66
• TPSA: 192.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2368.06
LogP ≤ 5	22.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;tetrakis(2-methylpropane)?

The IUPAC name of (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;tetrakis(2-methylpropane) (CID 167665986) is (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;tetrakis(2-methylpropane).

What is the SMILES notation for (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;tetrakis(2-methylpropane)?

The canonical SMILES for (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;tetrakis(2-methylpropane) is C.C.CC(C)(C)C1CCN(CN2CCNCC2)CC1.CC(C)(C)N1CCC(CN2CCNCC2)CC1.CC(C)(C)N1CCN(CCO)CC1.CC(C)(C)N1CCN(CCS)CC1.CC(C)(C)NCCOCCN1CCN(CCOC(C)(C)C)CC1.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.CC(C)C.CC(C)C.CC(C)C.CC(C)S(=O)(=O)CCN1CCN(C(C)(C)C)CC1.

What is the InChIKey of (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;tetrakis(2-methylpropane)?

The InChIKey is SQLUCPZVULWFSS-MAKVIECYSA-N. The full InChI is InChI=1S/C19H33N3O.C19H38N2O.C18H39N3O2.2C14H29N3.C13H28N2O2S.C10H22N2O.C10H22N2S.4C4H10.2CH4/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;1-16(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)19-7-14-22-15-12-20-8-10-21(11-9-20)13-16-23-18(4,5)6;1-14(2,3)13-4-8-16(9-5-13)12-17-10-6-15-7-11-17;1-14(2,3)17-8-4-13(5-9-17)12-16-10-6-15-7-11-16;1-12(2)18(16,17)11-10-14-6-8-15(9-7-14)13(3,4)5;2*1-10(2,3)12-6-4-11(5-7-12)8-9-13;4*1-4(2)3;;/h7-8,15H,9-14H2,1-6H3;9-15H2,1-8H3;19H,7-16H2,1-6H3;2*13,15H,4-12H2,1-3H3;12H,6-11H2,1-5H3;2*13H,4-9H2,1-3H3;4*4H,1-3H3;2*1H4/t;18-,19+;;;;;;;;;;;;.

What are the key properties of (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;tetrakis(2-methylpropane)?

(3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;tetrakis(2-methylpropane) has a molecular weight of 2368.06 g/mol, XLogP of 22.66, 29 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;tetrakis(2-methylpropane) is sourced from PubChem (CID 167665986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).