methane;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;bis(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;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane

C63H128N12 — CID 157346315

About methane;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;bis(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;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane

methane;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;bis(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;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane (PubChem CID 157346315) has the molecular formula C63H128N12 and a molecular weight of 1053.80 g/mol. Its IUPAC name is methane;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;bis(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;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane.

Molecular Properties

• Compound Name: methane;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;bis(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;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane
• PubChem CID: 157346315
• Molecular Formula: C63H128N12
• Molecular Weight: 1053.80 g/mol
• Exact Mass: 1053.04
• IUPAC Name: methane;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;bis(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;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane
• SMILES: C.CC(C)N1C2CCC1CN(C)C2.CC(C)N1C2CCC1CN(C)C2.CC(C)N1C2CCC1CN(C)CC2.CC(C)N1CC2CCC(C1)N2C.CC(C)N1CCC2CCC(C1)N2C.CC(C)N1CCN2CCC1CC2
• InChI: InChI=1S/2C11H22N2.4C10H20N2.CH4/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;1-8(2)12-6-9-4-5-10(7-12)11(9)3;2*1-8(2)12-9-4-5-10(12)7-11(3)6-9;1-9(2)12-8-7-11-5-3-10(12)4-6-11;/h2*9-11H,4-8H2,1-3H3;3*8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;1H4
• InChIKey: BGZZEIWTNZSAKV-UHFFFAOYSA-N
• XLogP: 8.46
• TPSA: 38.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1053.80
LogP ≤ 5	8.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of methane;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;bis(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;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane?

The IUPAC name of methane;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;bis(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;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane (CID 157346315) is methane;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;bis(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;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane.

What is the SMILES notation for methane;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;bis(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;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane?

The canonical SMILES for methane;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;bis(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;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane is C.CC(C)N1C2CCC1CN(C)C2.CC(C)N1C2CCC1CN(C)C2.CC(C)N1C2CCC1CN(C)CC2.CC(C)N1CC2CCC(C1)N2C.CC(C)N1CCC2CCC(C1)N2C.CC(C)N1CCN2CCC1CC2.

What is the InChIKey of methane;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;bis(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;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane?

The InChIKey is BGZZEIWTNZSAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22N2.4C10H20N2.CH4/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;1-8(2)12-6-9-4-5-10(7-12)11(9)3;2*1-8(2)12-9-4-5-10(12)7-11(3)6-9;1-9(2)12-8-7-11-5-3-10(12)4-6-11;/h2*9-11H,4-8H2,1-3H3;3*8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;1H4.

What are the key properties of methane;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;bis(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;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane?

methane;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;bis(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;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane has a molecular weight of 1053.80 g/mol, XLogP of 8.46, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methane;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;bis(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;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 157346315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).