2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane

C32H63N5 — CID 160778209

About 2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane

2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane (PubChem CID 160778209) has the molecular formula C32H63N5 and a molecular weight of 517.89 g/mol. Its IUPAC name is 2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane.

Molecular Properties

• Compound Name: 2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane
• PubChem CID: 160778209
• Molecular Formula: C32H63N5
• Molecular Weight: 517.89 g/mol
• Exact Mass: 517.51
• IUPAC Name: 2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane
• SMILES: CC(C)N1CC2(CCNCC2)C1.CC(C)N1CCC2(CCCCC2)C1.CC(C)N1CCC2(CCN2)CC1
• InChI: InChI=1S/C12H23N.2C10H20N2/c1-11(2)13-9-8-12(10-13)6-4-3-5-7-12;1-9(2)12-7-4-10(5-8-12)3-6-11-10;1-9(2)12-7-10(8-12)3-5-11-6-4-10/h11H,3-10H2,1-2H3;2*9,11H,3-8H2,1-2H3
• InChIKey: SAFQGBVSGZFODI-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 33.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.89
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane?

The IUPAC name of 2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane (CID 160778209) is 2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane.

What is the SMILES notation for 2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane?

The canonical SMILES for 2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane is CC(C)N1CC2(CCNCC2)C1.CC(C)N1CCC2(CCCCC2)C1.CC(C)N1CCC2(CCN2)CC1.

What is the InChIKey of 2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane?

The InChIKey is SAFQGBVSGZFODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.2C10H20N2/c1-11(2)13-9-8-12(10-13)6-4-3-5-7-12;1-9(2)12-7-4-10(5-8-12)3-6-11-10;1-9(2)12-7-10(8-12)3-5-11-6-4-10/h11H,3-10H2,1-2H3;2*9,11H,3-8H2,1-2H3.

What are the key properties of 2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane?

2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane has a molecular weight of 517.89 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 160778209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).