bis(2,6-dimethyl-2,6-diazabicyclo[3.2.2]nonane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.2]nonane);bis(3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonane);bis(2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane);6-methoxy-1,4-dimethyl-1,4-diazepane

C94H190N22O — CID 159647734

About bis(2,6-dimethyl-2,6-diazabicyclo[3.2.2]nonane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.2]nonane);bis(3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonane);bis(2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane);6-methoxy-1,4-dimethyl-1,4-diazepane

bis(2,6-dimethyl-2,6-diazabicyclo[3.2.2]nonane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.2]nonane);bis(3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonane);bis(2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane);6-methoxy-1,4-dimethyl-1,4-diazepane (PubChem CID 159647734) has the molecular formula C94H190N22O and a molecular weight of 1644.71 g/mol. Its IUPAC name is bis(2,6-dimethyl-2,6-diazabicyclo[3.2.2]nonane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.2]nonane);bis(3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonane);bis(2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane);6-methoxy-1,4-dimethyl-1,4-diazepane.

Molecular Properties

• Compound Name: bis(2,6-dimethyl-2,6-diazabicyclo[3.2.2]nonane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.2]nonane);bis(3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonane);bis(2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane);6-methoxy-1,4-dimethyl-1,4-diazepane
• PubChem CID: 159647734
• Molecular Formula: C94H190N22O
• Molecular Weight: 1644.71 g/mol
• Exact Mass: 1643.55
• IUPAC Name: bis(2,6-dimethyl-2,6-diazabicyclo[3.2.2]nonane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.2]nonane);bis(3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonane);bis(2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane);6-methoxy-1,4-dimethyl-1,4-diazepane
• SMILES: CN1CC2CC(C1)N(C)C2.CN1CC2CC(C1)N(C)C2.CN1CC2CCC(C1)N(C)C2.CN1CC2CCC(C1)N(C)C2.CN1CCC2CC1CN2C.CN1CCC2CC1CN2C.CN1CCC2CCC(C1)N2C.CN1CCC2CCC(C1)N2C.CN1CCC2CCC1CN2C.CN1CCC2CCC1CN2C.COC1CN(C)CCN(C)C1
• InChI: InChI=1S/6C9H18N2.C8H18N2O.4C8H16N2/c2*1-10-5-8-3-4-9(7-10)11(2)6-8;2*1-10-6-5-8-3-4-9(10)7-11(8)2;2*1-10-6-5-8-3-4-9(7-10)11(8)2;1-9-4-5-10(2)7-8(6-9)11-3;2*1-9-4-7-3-8(6-9)10(2)5-7;2*1-9-4-3-7-5-8(9)6-10(7)2/h6*8-9H,3-7H2,1-2H3;8H,4-7H2,1-3H3;4*7-8H,3-6H2,1-2H3
• InChIKey: MRDZLYIWRSPKOP-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 80.51 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 1
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1644.71
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dimethyl-2,6-diazabicyclo[3.2.2]nonane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.2]nonane);bis(3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonane);bis(2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane);6-methoxy-1,4-dimethyl-1,4-diazepane?

The IUPAC name of bis(2,6-dimethyl-2,6-diazabicyclo[3.2.2]nonane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.2]nonane);bis(3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonane);bis(2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane);6-methoxy-1,4-dimethyl-1,4-diazepane (CID 159647734) is bis(2,6-dimethyl-2,6-diazabicyclo[3.2.2]nonane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.2]nonane);bis(3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonane);bis(2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane);6-methoxy-1,4-dimethyl-1,4-diazepane.

What is the SMILES notation for bis(2,6-dimethyl-2,6-diazabicyclo[3.2.2]nonane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.2]nonane);bis(3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonane);bis(2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane);6-methoxy-1,4-dimethyl-1,4-diazepane?

The canonical SMILES for bis(2,6-dimethyl-2,6-diazabicyclo[3.2.2]nonane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.2]nonane);bis(3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonane);bis(2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane);6-methoxy-1,4-dimethyl-1,4-diazepane is CN1CC2CC(C1)N(C)C2.CN1CC2CC(C1)N(C)C2.CN1CC2CCC(C1)N(C)C2.CN1CC2CCC(C1)N(C)C2.CN1CCC2CC1CN2C.CN1CCC2CC1CN2C.CN1CCC2CCC(C1)N2C.CN1CCC2CCC(C1)N2C.CN1CCC2CCC1CN2C.CN1CCC2CCC1CN2C.COC1CN(C)CCN(C)C1.

What is the InChIKey of bis(2,6-dimethyl-2,6-diazabicyclo[3.2.2]nonane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.2]nonane);bis(3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonane);bis(2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane);6-methoxy-1,4-dimethyl-1,4-diazepane?

The InChIKey is MRDZLYIWRSPKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/6C9H18N2.C8H18N2O.4C8H16N2/c2*1-10-5-8-3-4-9(7-10)11(2)6-8;2*1-10-6-5-8-3-4-9(10)7-11(8)2;2*1-10-6-5-8-3-4-9(7-10)11(8)2;1-9-4-5-10(2)7-8(6-9)11-3;2*1-9-4-7-3-8(6-9)10(2)5-7;2*1-9-4-3-7-5-8(9)6-10(7)2/h6*8-9H,3-7H2,1-2H3;8H,4-7H2,1-3H3;4*7-8H,3-6H2,1-2H3.

What are the key properties of bis(2,6-dimethyl-2,6-diazabicyclo[3.2.2]nonane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.2]nonane);bis(3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonane);bis(2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane);6-methoxy-1,4-dimethyl-1,4-diazepane?

bis(2,6-dimethyl-2,6-diazabicyclo[3.2.2]nonane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.2]nonane);bis(3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonane);bis(2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane);6-methoxy-1,4-dimethyl-1,4-diazepane has a molecular weight of 1644.71 g/mol, XLogP of 5.60, 1 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,6-dimethyl-2,6-diazabicyclo[3.2.2]nonane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.2]nonane);bis(3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonane);bis(2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane);bis(3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane);6-methoxy-1,4-dimethyl-1,4-diazepane is sourced from PubChem (CID 159647734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).