10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid

C16H30N2O6 — CID 176659726

IUPAC10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid
SMILESNCCCCC(N)C(=O)OOC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C16H30N2O6/c17-12-8-7-9-13(18)16(22)24-23-15(21)11-6-4-2-1-3-5-10-14(19)20/h13H,1-12,17-18H2,(H,19,20)
InChIKeyFNAAOXICMDCUJE-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.65
Rot. Bonds14

About 10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid

10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid (PubChem CID 176659726) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is 10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid.

Molecular Properties

Compound Name10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid
PubChem CID176659726
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid
SMILESNCCCCC(N)C(=O)OOC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C16H30N2O6/c17-12-8-7-9-13(18)16(22)24-23-15(21)11-6-4-2-1-3-5-10-14(19)20/h13H,1-12,17-18H2,(H,19,20)
InChIKeyFNAAOXICMDCUJE-UHFFFAOYSA-N
XLogP1.65
TPSA141.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Related Compounds

bis(4-aminobutanoic acid);2,6-diaminohexanoic acid
CID 174697274
decanoic acid;(2S)-2,6-diaminohexanoic acid
CID 87982832
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
bis(butanedioic acid);2,6-diaminohexanoic acid
CID 87800370
6-amino-7-aminooxy-7-oxoheptanoic acid
CID 87229165
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
6-aminohexanoic acid;zinc
CID 175049463
12-aminododecanoic acid;hydrochloride
CID 12651573
6-amino-7-carboxyoxy-7-oxoheptanoic acid
CID 174448817
4,9-diaminononanoic acid
CID 88791042
19,28-diaminooctacosanoic acid;terephthalic acid
CID 90300456

Frequently Asked Questions

What is the IUPAC name of 10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid?
The IUPAC name of 10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid (CID 176659726) is 10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid.
What is the SMILES notation for 10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid?
The canonical SMILES for 10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid is NCCCCC(N)C(=O)OOC(=O)CCCCCCCCC(=O)O.
What is the InChIKey of 10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid?
The InChIKey is FNAAOXICMDCUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O6/c17-12-8-7-9-13(18)16(22)24-23-15(21)11-6-4-2-1-3-5-10-14(19)20/h13H,1-12,17-18H2,(H,19,20).
What are the key properties of 10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid?
10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid has a molecular weight of 346.42 g/mol, XLogP of 1.65, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid is sourced from PubChem (CID 176659726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).