2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

C47H94N10 — CID 161038156

About 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 161038156) has the molecular formula C47H94N10 and a molecular weight of 799.34 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
• PubChem CID: 161038156
• Molecular Formula: C47H94N10
• Molecular Weight: 799.34 g/mol
• Exact Mass: 798.77
• IUPAC Name: 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
• SMILES: CC(C)N1C2CC1CN(C)C2.CC(C)N1C2CCC1CN(C)C2.CC(C)N1CC2CC(C1)N2C.CC(C)N1CC2CC1CN2C.CC(C)N1CC2CCC(C1)N2C
• InChI: InChI=1S/2C10H20N2.3C9H18N2/c1-8(2)12-6-9-4-5-10(7-12)11(9)3;1-8(2)12-9-4-5-10(12)7-11(3)6-9;1-7(2)11-6-8-4-9(11)5-10(8)3;1-7(2)11-5-8-4-9(6-11)10(8)3;1-7(2)11-8-4-9(11)6-10(3)5-8/h2*8-10H,4-7H2,1-3H3;3*7-9H,4-6H2,1-3H3
• InChIKey: UANGQRZDUFQVNN-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 32.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	799.34
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?

The IUPAC name of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 161038156) is 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

What is the SMILES notation for 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?

The canonical SMILES for 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is CC(C)N1C2CC1CN(C)C2.CC(C)N1C2CCC1CN(C)C2.CC(C)N1CC2CC(C1)N2C.CC(C)N1CC2CC1CN2C.CC(C)N1CC2CCC(C1)N2C.

What is the InChIKey of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?

The InChIKey is UANGQRZDUFQVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20N2.3C9H18N2/c1-8(2)12-6-9-4-5-10(7-12)11(9)3;1-8(2)12-9-4-5-10(12)7-11(3)6-9;1-7(2)11-6-8-4-9(11)5-10(8)3;1-7(2)11-5-8-4-9(6-11)10(8)3;1-7(2)11-8-4-9(11)6-10(3)5-8/h2*8-10H,4-7H2,1-3H3;3*7-9H,4-6H2,1-3H3.

What are the key properties of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?

2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 799.34 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 161038156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).