N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide

C36H80N16O8 — CID 161367702

About N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide

N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 161367702) has the molecular formula C36H80N16O8 and a molecular weight of 875.07 g/mol. Its IUPAC name is N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide
• PubChem CID: 161367702
• Molecular Formula: C36H80N16O8
• Molecular Weight: 875.07 g/mol
• Exact Mass: 874.65
• IUPAC Name: N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide
• SMILES: CN1CCN([13CH2]C(=O)NCCON)CC1.CN1CC[15N](CC(=O)NCCON)[13CH2][13CH2]1.CN1CC[15N]([13CH2]C(=O)NCCON)CC1.CN1CC[15N]([13CH2]C(=O)NCCON)[13CH2][13CH2]1
• InChI: InChI=1S/4C9H20N4O2/c4*1-12-3-5-13(6-4-12)8-9(14)11-2-7-15-10/h4*2-8,10H2,1H3,(H,11,14)/i3+1,5+1,8+1,13+1;3+1,5+1,13+1;8+1,13+1;8+1
• InChIKey: VQANWGMXKKHAAI-MLXXNKGBSA-N
• XLogP: -7.04
• TPSA: 283.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	875.07
LogP ≤ 5	-7.04
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide?

The IUPAC name of N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide (CID 161367702) is N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide.

What is the SMILES notation for N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide?

The canonical SMILES for N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN([13CH2]C(=O)NCCON)CC1.CN1CC[15N](CC(=O)NCCON)[13CH2][13CH2]1.CN1CC[15N]([13CH2]C(=O)NCCON)CC1.CN1CC[15N]([13CH2]C(=O)NCCON)[13CH2][13CH2]1.

What is the InChIKey of N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide?

The InChIKey is VQANWGMXKKHAAI-MLXXNKGBSA-N. The full InChI is InChI=1S/4C9H20N4O2/c4*1-12-3-5-13(6-4-12)8-9(14)11-2-7-15-10/h4*2-8,10H2,1H3,(H,11,14)/i3+1,5+1,8+1,13+1;3+1,5+1,13+1;8+1,13+1;8+1.

What are the key properties of N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide?

N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 875.07 g/mol, XLogP of -7.04, 20 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 161367702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).