6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane)

C128H270N26 — CID 164948417

About 6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane)

6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane) (PubChem CID 164948417) has the molecular formula C128H270N26 and a molecular weight of 2173.75 g/mol. Its IUPAC name is 6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane).

Molecular Properties

• Compound Name: 6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane)
• PubChem CID: 164948417
• Molecular Formula: C128H270N26
• Molecular Weight: 2173.75 g/mol
• Exact Mass: 2172.19
• IUPAC Name: 6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane)
• SMILES: CC(C)(C)C1CCC2CNCN2C1.CC(C)(C)N1CC2CNCN2C1.CC(C)(C)N1CC2N(C1)CN2C(C)(C)C.CC(C)(C)N1CCC2CCN(C(C)(C)C)CN2C1.CC(C)(C)N1CCC2CN(C(C)(C)C)CN2C1.CC(C)(C)N1CCC2CNCN2C1.CC(C)(C)N1CCC2N(C1)CN2C(C)(C)C.CC(C)(C)N1CCCC2CCN(C(C)(C)C)CN2C1.CC(C)(C)N1CCCC2CCN(C(C)(C)C)CN2C1.CC(C)C.CC(C)C.CC(C)C
• InChI: InChI=1S/2C16H33N3.C15H31N3.C14H29N3.C13H27N3.C12H25N3.C11H22N2.C10H21N3.C9H19N3.3C4H10/c2*1-15(2,3)18-10-7-8-14-9-11-19(16(4,5)6)13-17(14)12-18;1-14(2,3)17-9-7-13-8-10-18(15(4,5)6)12-16(13)11-17;1-13(2,3)16-8-7-12-9-17(14(4,5)6)11-15(12)10-16;1-12(2,3)15-8-7-11-14(9-15)10-16(11)13(4,5)6;1-11(2,3)14-7-10-13(8-14)9-15(10)12(4,5)6;1-11(2,3)9-4-5-10-6-12-8-13(10)7-9;1-10(2,3)13-5-4-9-6-11-7-12(9)8-13;1-9(2,3)12-5-8-4-10-6-11(8)7-12;3*1-4(2)3/h2*14H,7-13H2,1-6H3;13H,7-12H2,1-6H3;12H,7-11H2,1-6H3;11H,7-10H2,1-6H3;10H,7-9H2,1-6H3;9-10,12H,4-8H2,1-3H3;9,11H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;3*4H,1-3H3
• InChIKey: AESNCALBCVDMIP-UHFFFAOYSA-N
• XLogP: 22.25
• TPSA: 110.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2173.75
LogP ≤ 5	22.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane)?

The IUPAC name of 6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane) (CID 164948417) is 6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane).

What is the SMILES notation for 6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane)?

The canonical SMILES for 6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane) is CC(C)(C)C1CCC2CNCN2C1.CC(C)(C)N1CC2CNCN2C1.CC(C)(C)N1CC2N(C1)CN2C(C)(C)C.CC(C)(C)N1CCC2CCN(C(C)(C)C)CN2C1.CC(C)(C)N1CCC2CN(C(C)(C)C)CN2C1.CC(C)(C)N1CCC2CNCN2C1.CC(C)(C)N1CCC2N(C1)CN2C(C)(C)C.CC(C)(C)N1CCCC2CCN(C(C)(C)C)CN2C1.CC(C)(C)N1CCCC2CCN(C(C)(C)C)CN2C1.CC(C)C.CC(C)C.CC(C)C.

What is the InChIKey of 6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane)?

The InChIKey is AESNCALBCVDMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H33N3.C15H31N3.C14H29N3.C13H27N3.C12H25N3.C11H22N2.C10H21N3.C9H19N3.3C4H10/c2*1-15(2,3)18-10-7-8-14-9-11-19(16(4,5)6)13-17(14)12-18;1-14(2,3)17-9-7-13-8-10-18(15(4,5)6)12-16(13)11-17;1-13(2,3)16-8-7-12-9-17(14(4,5)6)11-15(12)10-16;1-12(2,3)15-8-7-11-14(9-15)10-16(11)13(4,5)6;1-11(2,3)14-7-10-13(8-14)9-15(10)12(4,5)6;1-11(2,3)9-4-5-10-6-12-8-13(10)7-9;1-10(2,3)13-5-4-9-6-11-7-12(9)8-13;1-9(2,3)12-5-8-4-10-6-11(8)7-12;3*1-4(2)3/h2*14H,7-13H2,1-6H3;13H,7-12H2,1-6H3;12H,7-11H2,1-6H3;11H,7-10H2,1-6H3;10H,7-9H2,1-6H3;9-10,12H,4-8H2,1-3H3;9,11H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;3*4H,1-3H3.

What are the key properties of 6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane)?

6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane) has a molecular weight of 2173.75 g/mol, XLogP of 22.25, 0 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane) is sourced from PubChem (CID 164948417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).