7-propan-2-yl-2-[2-[2-(5-propan-2-yl-5-azaspiro[3.4]octan-6-yl)-6-azaspiro[2.5]octan-6-yl]propan-2-yl]-7-azaspiro[3.5]nonane

C31H55N3 — CID 130224164

About 7-propan-2-yl-2-[2-[2-(5-propan-2-yl-5-azaspiro[3.4]octan-6-yl)-6-azaspiro[2.5]octan-6-yl]propan-2-yl]-7-azaspiro[3.5]nonane

7-propan-2-yl-2-[2-[2-(5-propan-2-yl-5-azaspiro[3.4]octan-6-yl)-6-azaspiro[2.5]octan-6-yl]propan-2-yl]-7-azaspiro[3.5]nonane (PubChem CID 130224164) has the molecular formula C31H55N3 and a molecular weight of 469.80 g/mol. Its IUPAC name is 7-propan-2-yl-2-[2-[2-(5-propan-2-yl-5-azaspiro[3.4]octan-6-yl)-6-azaspiro[2.5]octan-6-yl]propan-2-yl]-7-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: 7-propan-2-yl-2-[2-[2-(5-propan-2-yl-5-azaspiro[3.4]octan-6-yl)-6-azaspiro[2.5]octan-6-yl]propan-2-yl]-7-azaspiro[3.5]nonane
• PubChem CID: 130224164
• Molecular Formula: C31H55N3
• Molecular Weight: 469.80 g/mol
• Exact Mass: 469.44
• IUPAC Name: 7-propan-2-yl-2-[2-[2-(5-propan-2-yl-5-azaspiro[3.4]octan-6-yl)-6-azaspiro[2.5]octan-6-yl]propan-2-yl]-7-azaspiro[3.5]nonane
• SMILES: CC(C)N1CCC2(CC1)CC(C(C)(C)N1CCC3(CC1)CC3C1CCC3(CCC3)N1C(C)C)C2
• InChI: InChI=1S/C31H55N3/c1-23(2)32-16-12-29(13-17-32)20-25(21-29)28(5,6)33-18-14-30(15-19-33)22-26(30)27-8-11-31(9-7-10-31)34(27)24(3)4/h23-27H,7-22H2,1-6H3
• InChIKey: KIMQJTNWMSBTSC-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.80
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-[2-[2-(5-propan-2-yl-5-azaspiro[3.4]octan-6-yl)-6-azaspiro[2.5]octan-6-yl]propan-2-yl]-7-azaspiro[3.5]nonane?

The IUPAC name of 7-propan-2-yl-2-[2-[2-(5-propan-2-yl-5-azaspiro[3.4]octan-6-yl)-6-azaspiro[2.5]octan-6-yl]propan-2-yl]-7-azaspiro[3.5]nonane (CID 130224164) is 7-propan-2-yl-2-[2-[2-(5-propan-2-yl-5-azaspiro[3.4]octan-6-yl)-6-azaspiro[2.5]octan-6-yl]propan-2-yl]-7-azaspiro[3.5]nonane.

What is the SMILES notation for 7-propan-2-yl-2-[2-[2-(5-propan-2-yl-5-azaspiro[3.4]octan-6-yl)-6-azaspiro[2.5]octan-6-yl]propan-2-yl]-7-azaspiro[3.5]nonane?

The canonical SMILES for 7-propan-2-yl-2-[2-[2-(5-propan-2-yl-5-azaspiro[3.4]octan-6-yl)-6-azaspiro[2.5]octan-6-yl]propan-2-yl]-7-azaspiro[3.5]nonane is CC(C)N1CCC2(CC1)CC(C(C)(C)N1CCC3(CC1)CC3C1CCC3(CCC3)N1C(C)C)C2.

What is the InChIKey of 7-propan-2-yl-2-[2-[2-(5-propan-2-yl-5-azaspiro[3.4]octan-6-yl)-6-azaspiro[2.5]octan-6-yl]propan-2-yl]-7-azaspiro[3.5]nonane?

The InChIKey is KIMQJTNWMSBTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H55N3/c1-23(2)32-16-12-29(13-17-32)20-25(21-29)28(5,6)33-18-14-30(15-19-33)22-26(30)27-8-11-31(9-7-10-31)34(27)24(3)4/h23-27H,7-22H2,1-6H3.

What are the key properties of 7-propan-2-yl-2-[2-[2-(5-propan-2-yl-5-azaspiro[3.4]octan-6-yl)-6-azaspiro[2.5]octan-6-yl]propan-2-yl]-7-azaspiro[3.5]nonane?

7-propan-2-yl-2-[2-[2-(5-propan-2-yl-5-azaspiro[3.4]octan-6-yl)-6-azaspiro[2.5]octan-6-yl]propan-2-yl]-7-azaspiro[3.5]nonane has a molecular weight of 469.80 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-propan-2-yl-2-[2-[2-(5-propan-2-yl-5-azaspiro[3.4]octan-6-yl)-6-azaspiro[2.5]octan-6-yl]propan-2-yl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 130224164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).