3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium)

C25H46N5Y3-3 — CID 158888370

About 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium)

3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium) (PubChem CID 158888370) has the molecular formula C25H46N5Y3-3 and a molecular weight of 683.40 g/mol. Its IUPAC name is 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium).

Molecular Properties

• Compound Name: 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium)
• PubChem CID: 158888370
• Molecular Formula: C25H46N5Y3-3
• Molecular Weight: 683.40 g/mol
• Exact Mass: 683.09
• IUPAC Name: 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium)
• SMILES: CC(C)C1CC2CC(C1)[N-]2.CC(C)N1C2C[N-]CC1C2.CC(C)N1CC2CC(C1)[N-]2.[Y].[Y].[Y]
• InChI: InChI=1S/C9H16N.2C8H15N2.3Y/c1-6(2)7-3-8-5-9(4-7)10-8;1-6(2)10-4-7-3-8(5-10)9-7;1-6(2)10-7-3-8(10)5-9-4-7;;;/h6-9H,3-5H2,1-2H3;2*6-8H,3-5H2,1-2H3;;;/q3*-1
• InChIKey: MPOVQMPAMNRKIK-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 48.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.40
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium)?

The IUPAC name of 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium) (CID 158888370) is 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium).

What is the SMILES notation for 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium)?

The canonical SMILES for 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium) is CC(C)C1CC2CC(C1)[N-]2.CC(C)N1C2C[N-]CC1C2.CC(C)N1CC2CC(C1)[N-]2.[Y].[Y].[Y].

What is the InChIKey of 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium)?

The InChIKey is MPOVQMPAMNRKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N.2C8H15N2.3Y/c1-6(2)7-3-8-5-9(4-7)10-8;1-6(2)10-4-7-3-8(5-10)9-7;1-6(2)10-7-3-8(10)5-9-4-7;;;/h6-9H,3-5H2,1-2H3;2*6-8H,3-5H2,1-2H3;;;/q3*-1;;;.

What are the key properties of 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium)?

3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium) has a molecular weight of 683.40 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium) is sourced from PubChem (CID 158888370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).