3-tert-butyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-tert-butyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)

C169H342N22 — CID 165107594

About 3-tert-butyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-tert-butyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)

3-tert-butyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-tert-butyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) (PubChem CID 165107594) has the molecular formula C169H342N22 and a molecular weight of 2682.75 g/mol. Its IUPAC name is 3-tert-butyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-tert-butyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine).

Molecular Properties

• Compound Name: 3-tert-butyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-tert-butyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
• PubChem CID: 165107594
• Molecular Formula: C169H342N22
• Molecular Weight: 2682.75 g/mol
• Exact Mass: 2680.74
• IUPAC Name: 3-tert-butyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-tert-butyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
• SMILES: CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC1CN2C(C)(C)C.CC(C)(C)N1CCCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)N1C2CC1CC(C(C)(C)C)C2.CC(C)N1C2CC1CN(C(C)(C)C)C2.CC(C)N1CC2CC(C1)C2C(C)(C)C.CC(C)N1CC2CC(C1)N2C(C)(C)C
• InChI: InChI=1S/3C14H28N2.2C13H26N2.C13H28N2.2C13H25N.2C13H27N.2C12H24N2.C12H26N2/c1-13(2,3)15-9-12-8-7-11(15)10-16(12)14(4,5)6;2*1-13(2,3)15-9-11-7-8-12(10-15)16(11)14(4,5)6;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-12(2,3)14-8-7-9-15(11-10-14)13(4,5)6;1-9(2)14-7-10-6-11(8-14)12(10)13(3,4)5;1-9(2)14-11-6-10(13(3,4)5)7-12(14)8-11;2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-9(2)14-10-6-11(14)8-13(7-10)12(3,4)5;1-9(2)13-7-10-6-11(8-13)14(10)12(3,4)5;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h3*11-12H,7-10H2,1-6H3;2*10-11H,7-9H2,1-6H3;7-11H2,1-6H3;2*9-12H,6-8H2,1-5H3;2*11H,7-10H2,1-6H3;2*9-11H,6-8H2,1-5H3;7-10H2,1-6H3
• InChIKey: ZKENHWOWAYOYTG-UHFFFAOYSA-N
• XLogP: 34.96
• TPSA: 71.28 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 4
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2682.75
LogP ≤ 5	34.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-tert-butyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?

The IUPAC name of 3-tert-butyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-tert-butyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) (CID 165107594) is 3-tert-butyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-tert-butyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine).

What is the SMILES notation for 3-tert-butyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-tert-butyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?

The canonical SMILES for 3-tert-butyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-tert-butyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) is CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC1CN2C(C)(C)C.CC(C)(C)N1CCCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)N1C2CC1CC(C(C)(C)C)C2.CC(C)N1C2CC1CN(C(C)(C)C)C2.CC(C)N1CC2CC(C1)C2C(C)(C)C.CC(C)N1CC2CC(C1)N2C(C)(C)C.

What is the InChIKey of 3-tert-butyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-tert-butyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?

The InChIKey is ZKENHWOWAYOYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H28N2.2C13H26N2.C13H28N2.2C13H25N.2C13H27N.2C12H24N2.C12H26N2/c1-13(2,3)15-9-12-8-7-11(15)10-16(12)14(4,5)6;2*1-13(2,3)15-9-11-7-8-12(10-15)16(11)14(4,5)6;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-12(2,3)14-8-7-9-15(11-10-14)13(4,5)6;1-9(2)14-7-10-6-11(8-14)12(10)13(3,4)5;1-9(2)14-11-6-10(13(3,4)5)7-12(14)8-11;2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-9(2)14-10-6-11(14)8-13(7-10)12(3,4)5;1-9(2)13-7-10-6-11(8-13)14(10)12(3,4)5;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h3*11-12H,7-10H2,1-6H3;2*10-11H,7-9H2,1-6H3;7-11H2,1-6H3;2*9-12H,6-8H2,1-5H3;2*11H,7-10H2,1-6H3;2*9-11H,6-8H2,1-5H3;7-10H2,1-6H3.

What are the key properties of 3-tert-butyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-tert-butyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?

3-tert-butyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-tert-butyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) has a molecular weight of 2682.75 g/mol, XLogP of 34.96, 4 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-tert-butyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) is sourced from PubChem (CID 165107594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).