ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane

C47H98N4 — CID 157312956

About ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane

ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane (PubChem CID 157312956) has the molecular formula C47H98N4 and a molecular weight of 719.33 g/mol. Its IUPAC name is ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane.

Molecular Properties

• Compound Name: ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane
• PubChem CID: 157312956
• Molecular Formula: C47H98N4
• Molecular Weight: 719.33 g/mol
• Exact Mass: 718.78
• IUPAC Name: ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane
• SMILES: CC.CC.CC.CC.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2(CCC2)C1.CC(C)N1CCCC2(CC2)C1
• InChI: InChI=1S/3C10H19N.C9H17N.4C2H6/c1-9(2)11-7-5-10(3-4-10)6-8-11;1-9(2)11-7-3-4-10(8-11)5-6-10;1-9(2)11-7-6-10(8-11)4-3-5-10;1-8(2)10-6-5-9(7-10)3-4-9;4*1-2/h3*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;4*1-2H3
• InChIKey: BDGFXIINFTVUHO-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.33
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane?

The IUPAC name of ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane (CID 157312956) is ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane.

What is the SMILES notation for ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane?

The canonical SMILES for ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane is CC.CC.CC.CC.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2(CCC2)C1.CC(C)N1CCCC2(CC2)C1.

What is the InChIKey of ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane?

The InChIKey is BDGFXIINFTVUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H19N.C9H17N.4C2H6/c1-9(2)11-7-5-10(3-4-10)6-8-11;1-9(2)11-7-3-4-10(8-11)5-6-10;1-9(2)11-7-6-10(8-11)4-3-5-10;1-8(2)10-6-5-9(7-10)3-4-9;4*1-2/h3*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;4*1-2H3.

What are the key properties of ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane?

ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane has a molecular weight of 719.33 g/mol, XLogP of 12.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane is sourced from PubChem (CID 157312956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).