hexyl-oxido-oxidoiminoazanium

C6H13N2O2- — CID 177438767

IUPAChexyl-oxido-oxidoiminoazanium
SMILESCCCCCC[N+]([O-])=N[O-]
InChIInChI=1S/C6H14N2O2/c1-2-3-4-5-6-8(10)7-9/h9H,2-6H2,1H3/p-1
InChIKeyRTTCHMLBAZLTBR-UHFFFAOYSA-M
MW145.18 g/mol
LogP2.03
Rot. Bonds5

About hexyl-oxido-oxidoiminoazanium

hexyl-oxido-oxidoiminoazanium (PubChem CID 177438767) has the molecular formula C6H13N2O2- and a molecular weight of 145.18 g/mol. Its IUPAC name is hexyl-oxido-oxidoiminoazanium.

Molecular Properties

Compound Namehexyl-oxido-oxidoiminoazanium
PubChem CID177438767
Molecular FormulaC6H13N2O2-
Molecular Weight145.18 g/mol
Exact Mass145.10
IUPAC Namehexyl-oxido-oxidoiminoazanium
SMILESCCCCCC[N+]([O-])=N[O-]
InChIInChI=1S/C6H14N2O2/c1-2-3-4-5-6-8(10)7-9/h9H,2-6H2,1H3/p-1
InChIKeyRTTCHMLBAZLTBR-UHFFFAOYSA-M
XLogP2.03
TPSA61.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dodecyl-hydroxyimino-oxidoazanium
CID 163791122
N-dodecylmethanimine oxide
CID 174690762
nonan-2-ylimino-octyl-oxidoazanium
CID 57350805
1-nitrotriacontane
CID 154217337
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644
CID 161246447
CID 161246447
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of hexyl-oxido-oxidoiminoazanium?
The IUPAC name of hexyl-oxido-oxidoiminoazanium (CID 177438767) is hexyl-oxido-oxidoiminoazanium.
What is the SMILES notation for hexyl-oxido-oxidoiminoazanium?
The canonical SMILES for hexyl-oxido-oxidoiminoazanium is CCCCCC[N+]([O-])=N[O-].
What is the InChIKey of hexyl-oxido-oxidoiminoazanium?
The InChIKey is RTTCHMLBAZLTBR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N2O2/c1-2-3-4-5-6-8(10)7-9/h9H,2-6H2,1H3/p-1.
What are the key properties of hexyl-oxido-oxidoiminoazanium?
hexyl-oxido-oxidoiminoazanium has a molecular weight of 145.18 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-oxido-oxidoiminoazanium is sourced from PubChem (CID 177438767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).