2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane

C19H34F3N3 — CID 162617363

About 2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane

2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 162617363) has the molecular formula C19H34F3N3 and a molecular weight of 361.50 g/mol. Its IUPAC name is 2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

• Compound Name: 2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane
• PubChem CID: 162617363
• Molecular Formula: C19H34F3N3
• Molecular Weight: 361.50 g/mol
• Exact Mass: 361.27
• IUPAC Name: 2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane
• SMILES: CC(C)CN1CC(C(N2CCC3(CC2)CN(C(C)C)C3)C(F)(F)F)C1
• InChI: InChI=1S/C19H34F3N3/c1-14(2)9-23-10-16(11-23)17(19(20,21)22)24-7-5-18(6-8-24)12-25(13-18)15(3)4/h14-17H,5-13H2,1-4H3
• InChIKey: ZHOGDGLIVDLEKV-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.50
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane?

The IUPAC name of 2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane (CID 162617363) is 2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane.

What is the SMILES notation for 2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane?

The canonical SMILES for 2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane is CC(C)CN1CC(C(N2CCC3(CC2)CN(C(C)C)C3)C(F)(F)F)C1.

What is the InChIKey of 2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane?

The InChIKey is ZHOGDGLIVDLEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3N3/c1-14(2)9-23-10-16(11-23)17(19(20,21)22)24-7-5-18(6-8-24)12-25(13-18)15(3)4/h14-17H,5-13H2,1-4H3.

What are the key properties of 2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane?

2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 361.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 162617363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).