bis(9,9-dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole);bis(2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane);3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(1,4-di(propan-2-yl)-1,4-diazepane);1,4-di(propan-2-yl)piperazine

C145H296N24 — CID 163523320

About bis(9,9-dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole);bis(2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane);3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(1,4-di(propan-2-yl)-1,4-diazepane);1,4-di(propan-2-yl)piperazine

bis(9,9-dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole);bis(2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane);3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(1,4-di(propan-2-yl)-1,4-diazepane);1,4-di(propan-2-yl)piperazine (PubChem CID 163523320) has the molecular formula C145H296N24 and a molecular weight of 2376.13 g/mol. Its IUPAC name is bis(9,9-dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole);bis(2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane);3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(1,4-di(propan-2-yl)-1,4-diazepane);1,4-di(propan-2-yl)piperazine.

Molecular Properties

• Compound Name: bis(9,9-dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole);bis(2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane);3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(1,4-di(propan-2-yl)-1,4-diazepane);1,4-di(propan-2-yl)piperazine
• PubChem CID: 163523320
• Molecular Formula: C145H296N24
• Molecular Weight: 2376.13 g/mol
• Exact Mass: 2374.39
• IUPAC Name: bis(9,9-dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole);bis(2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane);3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(1,4-di(propan-2-yl)-1,4-diazepane);1,4-di(propan-2-yl)piperazine
• SMILES: CC(C)N1CC2CC(C1)N2C(C)C.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CCC(C1)N(C(C)C)C2.CC(C)N1CC2CCC(C1)N(C(C)C)C2.CC(C)N1CC2CN(C(C)C)C(C1)C(C)(C)C2.CC(C)N1CC2CN(C(C)C)C(C1)C(C)(C)C2.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
• InChI: InChI=1S/2C15H30N2.2C13H26N2.2C12H24N2.3C11H22N2.2C11H24N2.C10H22N2/c2*1-11(2)16-8-13-7-15(5,6)14(10-16)17(9-13)12(3)4;2*1-10(2)14-7-12-5-6-13(9-14)15(8-12)11(3)4;2*1-9(2)13-5-11-7-14(10(3)4)8-12(11)6-13;2*1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;1-8(2)12-6-10-5-11(7-12)13(10)9(3)4;2*1-10(2)12-6-5-7-13(9-8-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4/h2*11-14H,7-10H2,1-6H3;2*10-13H,5-9H2,1-4H3;2*9-12H,5-8H2,1-4H3;3*8-11H,5-7H2,1-4H3;2*10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3
• InChIKey: DMRXNEIKYWKZRS-UHFFFAOYSA-N
• XLogP: 23.13
• TPSA: 77.76 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2376.13
LogP ≤ 5	23.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of bis(9,9-dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole);bis(2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane);3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(1,4-di(propan-2-yl)-1,4-diazepane);1,4-di(propan-2-yl)piperazine?

The IUPAC name of bis(9,9-dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole);bis(2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane);3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(1,4-di(propan-2-yl)-1,4-diazepane);1,4-di(propan-2-yl)piperazine (CID 163523320) is bis(9,9-dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole);bis(2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane);3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(1,4-di(propan-2-yl)-1,4-diazepane);1,4-di(propan-2-yl)piperazine.

What is the SMILES notation for bis(9,9-dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole);bis(2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane);3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(1,4-di(propan-2-yl)-1,4-diazepane);1,4-di(propan-2-yl)piperazine?

The canonical SMILES for bis(9,9-dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole);bis(2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane);3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(1,4-di(propan-2-yl)-1,4-diazepane);1,4-di(propan-2-yl)piperazine is CC(C)N1CC2CC(C1)N2C(C)C.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CCC(C1)N(C(C)C)C2.CC(C)N1CC2CCC(C1)N(C(C)C)C2.CC(C)N1CC2CN(C(C)C)C(C1)C(C)(C)C2.CC(C)N1CC2CN(C(C)C)C(C1)C(C)(C)C2.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.

What is the InChIKey of bis(9,9-dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole);bis(2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane);3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(1,4-di(propan-2-yl)-1,4-diazepane);1,4-di(propan-2-yl)piperazine?

The InChIKey is DMRXNEIKYWKZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H30N2.2C13H26N2.2C12H24N2.3C11H22N2.2C11H24N2.C10H22N2/c2*1-11(2)16-8-13-7-15(5,6)14(10-16)17(9-13)12(3)4;2*1-10(2)14-7-12-5-6-13(9-14)15(8-12)11(3)4;2*1-9(2)13-5-11-7-14(10(3)4)8-12(11)6-13;2*1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;1-8(2)12-6-10-5-11(7-12)13(10)9(3)4;2*1-10(2)12-6-5-7-13(9-8-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4/h2*11-14H,7-10H2,1-6H3;2*10-13H,5-9H2,1-4H3;2*9-12H,5-8H2,1-4H3;3*8-11H,5-7H2,1-4H3;2*10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3.

What are the key properties of bis(9,9-dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole);bis(2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane);3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(1,4-di(propan-2-yl)-1,4-diazepane);1,4-di(propan-2-yl)piperazine?

bis(9,9-dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole);bis(2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane);3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(1,4-di(propan-2-yl)-1,4-diazepane);1,4-di(propan-2-yl)piperazine has a molecular weight of 2376.13 g/mol, XLogP of 23.13, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(9,9-dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole);bis(2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane);3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane);bis(1,4-di(propan-2-yl)-1,4-diazepane);1,4-di(propan-2-yl)piperazine is sourced from PubChem (CID 163523320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).