N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine

C25H41NO2 — CID 14895669

About N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 14895669) has the molecular formula C25H41NO2 and a molecular weight of 387.61 g/mol. Its IUPAC name is N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

• Compound Name: N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
• PubChem CID: 14895669
• Molecular Formula: C25H41NO2
• Molecular Weight: 387.61 g/mol
• Exact Mass: 387.31
• IUPAC Name: N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
• SMILES: CC(C)N(CCOC1(Cc2ccccc2)CC2CCC1(C)OC2(C)C)C(C)C
• InChI: InChI=1S/C25H41NO2/c1-19(2)26(20(3)4)15-16-27-25(17-21-11-9-8-10-12-21)18-22-13-14-24(25,7)28-23(22,5)6/h8-12,19-20,22H,13-18H2,1-7H3
• InChIKey: ORKUOTDJJLOKIB-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.61
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine?

The IUPAC name of N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 14895669) is N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine.

What is the SMILES notation for N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine?

The canonical SMILES for N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCOC1(Cc2ccccc2)CC2CCC1(C)OC2(C)C)C(C)C.

What is the InChIKey of N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine?

The InChIKey is ORKUOTDJJLOKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO2/c1-19(2)26(20(3)4)15-16-27-25(17-21-11-9-8-10-12-21)18-22-13-14-24(25,7)28-23(22,5)6/h8-12,19-20,22H,13-18H2,1-7H3.

What are the key properties of N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine?

N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 387.61 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 14895669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).