2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;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-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[3.2.1]octane

C72H142N12 — CID 157252335

About 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;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-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[3.2.1]octane

2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;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-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[3.2.1]octane (PubChem CID 157252335) has the molecular formula C72H142N12 and a molecular weight of 1176.01 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;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-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;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-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[3.2.1]octane
• PubChem CID: 157252335
• Molecular Formula: C72H142N12
• Molecular Weight: 1176.01 g/mol
• Exact Mass: 1175.15
• IUPAC Name: 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;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-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[3.2.1]octane
• SMILES: CC(C)N1C2CCC1CN(C)C2.CC(C)N1C2CCC1CN(C)CC2.CC(C)N1CC2CC1CN2C.CC(C)N1CC2CCC(C1)N2C.CC(C)N1CCC2CCC(C1)N2C.CC(C)N1CCC2CCC1C2.CC(C)N1CCC2CCC1CC2
• InChI: InChI=1S/2C11H22N2.C11H21N.2C10H20N2.C10H19N.C9H18N2/c1-9(2)13-7-6-10-4-5-11(8-13)12(10)3;1-9(2)13-10-4-5-11(13)8-12(3)7-6-10;1-9(2)12-8-7-10-3-5-11(12)6-4-10;1-8(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;1-8(2)11-6-5-9-3-4-10(11)7-9;1-7(2)11-6-8-4-9(11)5-10(8)3/h2*9-11H,4-8H2,1-3H3;9-11H,3-8H2,1-2H3;2*8-10H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;7-9H,4-6H2,1-3H3
• InChIKey: AWMHBRCXEAZUDH-UHFFFAOYSA-N
• XLogP: 11.18
• TPSA: 38.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1176.01
LogP ≤ 5	11.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;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-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[3.2.1]octane?

The IUPAC name of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;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-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[3.2.1]octane (CID 157252335) is 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;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-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[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-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;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-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[3.2.1]octane?

The canonical SMILES for 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;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-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[3.2.1]octane is CC(C)N1C2CCC1CN(C)C2.CC(C)N1C2CCC1CN(C)CC2.CC(C)N1CC2CC1CN2C.CC(C)N1CC2CCC(C1)N2C.CC(C)N1CCC2CCC(C1)N2C.CC(C)N1CCC2CCC1C2.CC(C)N1CCC2CCC1CC2.

What is the InChIKey of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;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-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[3.2.1]octane?

The InChIKey is AWMHBRCXEAZUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22N2.C11H21N.2C10H20N2.C10H19N.C9H18N2/c1-9(2)13-7-6-10-4-5-11(8-13)12(10)3;1-9(2)13-10-4-5-11(13)8-12(3)7-6-10;1-9(2)12-8-7-10-3-5-11(12)6-4-10;1-8(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;1-8(2)11-6-5-9-3-4-10(11)7-9;1-7(2)11-6-8-4-9(11)5-10(8)3/h2*9-11H,4-8H2,1-3H3;9-11H,3-8H2,1-2H3;2*8-10H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;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-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;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-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[3.2.1]octane?

2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;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-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[3.2.1]octane has a molecular weight of 1176.01 g/mol, XLogP of 11.18, 7 rotatable bonds, 0 hydrogen bond donors, and 12 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-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;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-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[3.2.1]octane is sourced from PubChem (CID 157252335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).