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;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate

C36H88N16O8 — CID 161173818

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;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate

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;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate (PubChem CID 161173818) has the molecular formula C36H88N16O8 and a molecular weight of 889.11 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;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate.

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;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate
• PubChem CID: 161173818
• Molecular Formula: C36H88N16O8
• Molecular Weight: 889.11 g/mol
• Exact Mass: 888.73
• 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;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate
• SMILES: CN1CCN([13CH2][13CH2]NCCON)CC1.CN1CC[15N](C[13CH2]NCCON)[13CH2][13CH2]1.CN1CC[15N]([13CH2]C(=O)NCCON)[13CH2][13CH2]1.CN1CC[15N]([13CH2]C(=[18O])NCCON)CC1.O.[18OH2]
• InChI: InChI=1S/2C9H20N4O2.2C9H22N4O.2H2O/c2*1-12-3-5-13(6-4-12)8-9(14)11-2-7-15-10;2*1-12-5-7-13(8-6-12)4-2-11-3-9-14-10;;/h2*2-8,10H2,1H3,(H,11,14);2*11H,2-10H2,1H3;2*1H2/i3+1,5+1,8+1,13+1;8+1,13+1,14+2;2+1,5+1,7+1,13+1;2+1,4+1;1+2
• InChIKey: TZBQAABTAMAUFU-HPYQYJSXSA-N
• XLogP: -7.74
• TPSA: 312.18 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	889.11
LogP ≤ 5	-7.74
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;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate?

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;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate (CID 161173818) 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;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate.

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;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate?

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;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate is CN1CCN([13CH2][13CH2]NCCON)CC1.CN1CC[15N](C[13CH2]NCCON)[13CH2][13CH2]1.CN1CC[15N]([13CH2]C(=O)NCCON)[13CH2][13CH2]1.CN1CC[15N]([13CH2]C(=[18O])NCCON)CC1.O.[18OH2].

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;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate?

The InChIKey is TZBQAABTAMAUFU-HPYQYJSXSA-N. The full InChI is InChI=1S/2C9H20N4O2.2C9H22N4O.2H2O/c2*1-12-3-5-13(6-4-12)8-9(14)11-2-7-15-10;2*1-12-5-7-13(8-6-12)4-2-11-3-9-14-10;;/h2*2-8,10H2,1H3,(H,11,14);2*11H,2-10H2,1H3;2*1H2/i3+1,5+1,8+1,13+1;8+1,13+1,14+2;2+1,5+1,7+1,13+1;2+1,4+1;1+2;.

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;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate?

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;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate has a molecular weight of 889.11 g/mol, XLogP of -7.74, 22 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;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate is sourced from PubChem (CID 161173818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).