3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione

C19H34N6O4 — CID 154166444

About 3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione

3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 154166444) has the molecular formula C19H34N6O4 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
• PubChem CID: 154166444
• Molecular Formula: C19H34N6O4
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.26
• IUPAC Name: 3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
• SMILES: CC(C)C1C(=O)N(CCCN)C(=O)N1CN1C(=O)N(CCCN)C(=O)C1C(C)C
• InChI: InChI=1S/C19H34N6O4/c1-12(2)14-16(26)22(9-5-7-20)18(28)24(14)11-25-15(13(3)4)17(27)23(19(25)29)10-6-8-21/h12-15H,5-11,20-21H2,1-4H3
• InChIKey: WSRSAKJPXCIHGG-UHFFFAOYSA-N
• XLogP: 0.22
• TPSA: 133.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?

The IUPAC name of 3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 154166444) is 3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione.

What is the SMILES notation for 3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?

The canonical SMILES for 3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione is CC(C)C1C(=O)N(CCCN)C(=O)N1CN1C(=O)N(CCCN)C(=O)C1C(C)C.

What is the InChIKey of 3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?

The InChIKey is WSRSAKJPXCIHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O4/c1-12(2)14-16(26)22(9-5-7-20)18(28)24(14)11-25-15(13(3)4)17(27)23(19(25)29)10-6-8-21/h12-15H,5-11,20-21H2,1-4H3.

What are the key properties of 3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?

3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 410.52 g/mol, XLogP of 0.22, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-aminopropyl)-1-[[3-(3-aminopropyl)-2,4-dioxo-5-propan-2-ylimidazolidin-1-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 154166444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).