2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one

C18H29N3O2 — CID 97370180

About 2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one

2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370180) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
• PubChem CID: 97370180
• Molecular Formula: C18H29N3O2
• Molecular Weight: 319.45 g/mol
• Exact Mass: 319.23
• IUPAC Name: 2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
• SMILES: Cc1ccc(CN2CCC3(CC2)CCN(CCN(C)C)C3=O)o1
• InChI: InChI=1S/C18H29N3O2/c1-15-4-5-16(23-15)14-20-9-6-18(7-10-20)8-11-21(17(18)22)13-12-19(2)3/h4-5H,6-14H2,1-3H3
• InChIKey: FEUBDGYMHOYFGA-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 39.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.45
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?

The IUPAC name of 2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 97370180) is 2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?

The canonical SMILES for 2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1ccc(CN2CCC3(CC2)CCN(CCN(C)C)C3=O)o1.

What is the InChIKey of 2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?

The InChIKey is FEUBDGYMHOYFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15-4-5-16(23-15)14-20-9-6-18(7-10-20)8-11-21(17(18)22)13-12-19(2)3/h4-5H,6-14H2,1-3H3.

What are the key properties of 2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?

2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 319.45 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).