O-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride

C16H37ClN2O7 — CID 168860339

IUPACO-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride
SMILESCl.NCCCCCCCCCCCCCCCCOOOOOOON
InChIInChI=1S/C16H36N2O7.ClH/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19-21-23-25-24-22-20-18;/h1-18H2;1H
InChIKeyQFWOICNYYPUQEQ-UHFFFAOYSA-N
MW404.93 g/mol
LogP4.31
Rot. Bonds22

About O-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride

O-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride (PubChem CID 168860339) has the molecular formula C16H37ClN2O7 and a molecular weight of 404.93 g/mol. Its IUPAC name is O-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride
PubChem CID168860339
Molecular FormulaC16H37ClN2O7
Molecular Weight404.93 g/mol
Exact Mass404.23
IUPAC NameO-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride
SMILESCl.NCCCCCCCCCCCCCCCCOOOOOOON
InChIInChI=1S/C16H36N2O7.ClH/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19-21-23-25-24-22-20-18;/h1-18H2;1H
InChIKeyQFWOICNYYPUQEQ-UHFFFAOYSA-N
XLogP4.31
TPSA116.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.93
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride?
The IUPAC name of O-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride (CID 168860339) is O-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride.
What is the SMILES notation for O-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride?
The canonical SMILES for O-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride is Cl.NCCCCCCCCCCCCCCCCOOOOOOON.
What is the InChIKey of O-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride?
The InChIKey is QFWOICNYYPUQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O7.ClH/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19-21-23-25-24-22-20-18;/h1-18H2;1H.
What are the key properties of O-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride?
O-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride has a molecular weight of 404.93 g/mol, XLogP of 4.31, 22 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for O-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride is sourced from PubChem (CID 168860339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).