N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane

C₁₃H₃₁N₃O₂ — CID 144702589

About N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane

N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane (PubChem CID 144702589) has the molecular formula C₁₃H₃₁N₃O₂ and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane
• PubChem CID: 144702589
• Molecular Formula: C₁₃H₃₁N₃O₂
• Molecular Weight: 261.41 g/mol
• Exact Mass: 261.24
• IUPAC Name: N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane
• SMILES: CC.CC.CN1CCOCC1CC(=O)NCCN
• InChI: InChI=1S/C9H19N3O2.2C2H6/c1-12-4-5-14-7-8(12)6-9(13)11-3-2-10;2*1-2/h8H,2-7,10H2,1H3,(H,11,13);2*1-2H3
• InChIKey: MCCNVJNORDUPHV-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 67.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	261.41
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane?

The IUPAC name of N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane (CID 144702589) is N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane.

What is the SMILES notation for N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane?

The canonical SMILES for N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane is CC.CC.CN1CCOCC1CC(=O)NCCN.

What is the InChIKey of N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane?

The InChIKey is MCCNVJNORDUPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.2C2H6/c1-12-4-5-14-7-8(12)6-9(13)11-3-2-10;2*1-2/h8H,2-7,10H2,1H3,(H,11,13);2*1-2H3.

What are the key properties of N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane?

N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane has a molecular weight of 261.41 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane is sourced from PubChem (CID 144702589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144702589 — identifiers, structure, computed properties (public domain)

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