3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C21H33N5O2 — CID 45163207

About 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 45163207) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 45163207
• Molecular Formula: C21H33N5O2
• Molecular Weight: 387.53 g/mol
• Exact Mass: 387.26
• IUPAC Name: 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(C(C)Cc1cccnc1)CC2
• InChI: InChI=1S/C21H33N5O2/c1-5-26-20(28)25(14-13-23(3)4)19(27)21(26)8-11-24(12-9-21)17(2)15-18-7-6-10-22-16-18/h6-7,10,16-17H,5,8-9,11-15H2,1-4H3
• InChIKey: MUQIPQHIVUJNKZ-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 59.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.53
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 45163207) is 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(C(C)Cc1cccnc1)CC2.

What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is MUQIPQHIVUJNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-5-26-20(28)25(14-13-23(3)4)19(27)21(26)8-11-24(12-9-21)17(2)15-18-7-6-10-22-16-18/h6-7,10,16-17H,5,8-9,11-15H2,1-4H3.

What are the key properties of 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 387.53 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 45163207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).