[2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium

C18H27N4O3+ — CID 9053607

About [2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium

[2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium (PubChem CID 9053607) has the molecular formula C18H27N4O3+ and a molecular weight of 347.44 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium.

Molecular Properties

• Compound Name: [2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
• PubChem CID: 9053607
• Molecular Formula: C18H27N4O3+
• Molecular Weight: 347.44 g/mol
• Exact Mass: 347.21
• IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
• SMILES: Cc1cccc(C)c1NC(=O)CNC(=O)C[NH+](C)CC(=O)NC1CC1
• InChI: InChI=1S/C18H26N4O3/c1-12-5-4-6-13(2)18(12)21-15(23)9-19-16(24)10-22(3)11-17(25)20-14-7-8-14/h4-6,14H,7-11H2,1-3H3,(H,19,24)(H,20,25)(H,21,23)/p+1
• InChIKey: YEDSTHLBIDLFMT-UHFFFAOYSA-O
• XLogP: -0.85
• TPSA: 91.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.44
LogP ≤ 5	-0.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium?

The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium (CID 9053607) is [2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium.

What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium?

The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium is Cc1cccc(C)c1NC(=O)CNC(=O)C[NH+](C)CC(=O)NC1CC1.

What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium?

The InChIKey is YEDSTHLBIDLFMT-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H26N4O3/c1-12-5-4-6-13(2)18(12)21-15(23)9-19-16(24)10-22(3)11-17(25)20-14-7-8-14/h4-6,14H,7-11H2,1-3H3,(H,19,24)(H,20,25)(H,21,23)/p+1.

What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium?

[2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium has a molecular weight of 347.44 g/mol, XLogP of -0.85, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9053607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).