1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide

C131H266N14O13 — CID 157491278

About 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide

1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide (PubChem CID 157491278) has the molecular formula C131H266N14O13 and a molecular weight of 2245.65 g/mol. Its IUPAC name is 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide
• PubChem CID: 157491278
• Molecular Formula: C131H266N14O13
• Molecular Weight: 2245.65 g/mol
• Exact Mass: 2244.06
• IUPAC Name: 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide
• SMILES: CC(C)(C)CCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC(=O)CC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCC#CC#CCOC(C)(C)C.CC1CN(C(C)(C)C)CCN1CCOC(C)(C)C.CC1CN(CCOC(C)(C)C)CC(C)N1CCOC(C)(C)C
• InChI: InChI=1S/C18H38N2O2.C18H36N2O2.C17H35N3O2.C17H36N2O.C16H34N2O.C16H33NO2.C15H32N2O.C14H22O2/c1-15-13-19(9-11-21-17(3,4)5)14-16(2)20(15)10-12-22-18(6,7)8;1-17(2,3)14-19-16(21)13-15-7-9-20(10-8-15)11-12-22-18(4,5)6;1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(4,5)6;1-16(2,3)8-11-18-9-7-10-19(13-12-18)14-15-20-17(4,5)6;1-15(2,3)7-8-17-9-11-18(12-10-17)13-14-19-16(4,5)6;1-15(2,3)13-18-14-7-9-17(10-8-14)11-12-19-16(4,5)6;1-13-12-17(14(2,3)4)9-8-16(13)10-11-18-15(5,6)7;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h15-16H,9-14H2,1-8H3;15H,7-14H2,1-6H3,(H,19,21);7-14H2,1-6H3,(H,18,21);7-15H2,1-6H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;13H,8-12H2,1-7H3;11-12H2,1-6H3
• InChIKey: BXHPCVNCAKRYEG-UHFFFAOYSA-N
• XLogP: 22.32
• TPSA: 198.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 38
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2245.65
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide?

The IUPAC name of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide (CID 157491278) is 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide.

What is the SMILES notation for 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide?

The canonical SMILES for 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide is CC(C)(C)CCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC(=O)CC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCC#CC#CCOC(C)(C)C.CC1CN(C(C)(C)C)CCN1CCOC(C)(C)C.CC1CN(CCOC(C)(C)C)CC(C)N1CCOC(C)(C)C.

What is the InChIKey of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide?

The InChIKey is BXHPCVNCAKRYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2.C18H36N2O2.C17H35N3O2.C17H36N2O.C16H34N2O.C16H33NO2.C15H32N2O.C14H22O2/c1-15-13-19(9-11-21-17(3,4)5)14-16(2)20(15)10-12-22-18(6,7)8;1-17(2,3)14-19-16(21)13-15-7-9-20(10-8-15)11-12-22-18(4,5)6;1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(4,5)6;1-16(2,3)8-11-18-9-7-10-19(13-12-18)14-15-20-17(4,5)6;1-15(2,3)7-8-17-9-11-18(12-10-17)13-14-19-16(4,5)6;1-15(2,3)13-18-14-7-9-17(10-8-14)11-12-19-16(4,5)6;1-13-12-17(14(2,3)4)9-8-16(13)10-11-18-15(5,6)7;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h15-16H,9-14H2,1-8H3;15H,7-14H2,1-6H3,(H,19,21);7-14H2,1-6H3,(H,18,21);7-15H2,1-6H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;13H,8-12H2,1-7H3;11-12H2,1-6H3.

What are the key properties of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide?

1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide has a molecular weight of 2245.65 g/mol, XLogP of 22.32, 38 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 157491278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).