3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane

C17H34N2O2 — CID 146339853

About 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane

3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 146339853) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane
• PubChem CID: 146339853
• Molecular Formula: C17H34N2O2
• Molecular Weight: 298.47 g/mol
• Exact Mass: 298.26
• IUPAC Name: 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane
• SMILES: CC(C)OCCN1C2CCC1CN(CCOC(C)(C)C)C2
• InChI: InChI=1S/C17H34N2O2/c1-14(2)20-10-9-19-15-6-7-16(19)13-18(12-15)8-11-21-17(3,4)5/h14-16H,6-13H2,1-5H3
• InChIKey: VWXNMZXGJTUMKZ-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.47
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane?

The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane (CID 146339853) is 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane.

What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane?

The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane is CC(C)OCCN1C2CCC1CN(CCOC(C)(C)C)C2.

What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane?

The InChIKey is VWXNMZXGJTUMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-14(2)20-10-9-19-15-6-7-16(19)13-18(12-15)8-11-21-17(3,4)5/h14-16H,6-13H2,1-5H3.

What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane?

3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 298.47 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 146339853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).