sodium dioctylazanide

C16H34NNa — CID 87162823

IUPACsodium dioctylazanide
SMILESCCCCCCCC[N-]CCCCCCCC.[Na+]
InChIInChI=1S/C16H34N.Na/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;/q-1;+1
InChIKeyYSBNGHIFSHSKTO-UHFFFAOYSA-N
MW263.44 g/mol
LogP3.09
Rot. Bonds14

About sodium dioctylazanide

sodium dioctylazanide (PubChem CID 87162823) has the molecular formula C16H34NNa and a molecular weight of 263.44 g/mol. Its IUPAC name is sodium dioctylazanide.

Molecular Properties

Compound Namesodium dioctylazanide
PubChem CID87162823
Molecular FormulaC16H34NNa
Molecular Weight263.44 g/mol
Exact Mass263.26
IUPAC Namesodium dioctylazanide
SMILESCCCCCCCC[N-]CCCCCCCC.[Na+]
InChIInChI=1S/C16H34N.Na/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;/q-1;+1
InChIKeyYSBNGHIFSHSKTO-UHFFFAOYSA-N
XLogP3.09
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tetrakis(didecylazanide);ruthenium(4+)
CID 172817339
bis(didecylazanide);titanium(4+);dichloride
CID 162188453
bis(dihexylazanide);neodymium;hydrochloride
CID 87163649
bis(dioctylazanide);neodymium;hydrochloride
CID 87163726
bis(dihexylazanide);neodymium(3+);bromide
CID 172683698
chlorotitanium(1+);dioctylazanide
CID 174285151
tris(dioctylazanide);methanol;titanium(3+)
CID 21464044
cesium dibutylazanide
CID 161226545
sodium;octakis(decane);hydride
CID 173398930
sodium;hydride;tridecane
CID 172995973
aluminum;lithium;bis(dibutylazanide);hydride
CID 19967643
hexacosane;octacosane
CID 158944700

Frequently Asked Questions

What is the IUPAC name of sodium dioctylazanide?
The IUPAC name of sodium dioctylazanide (CID 87162823) is sodium dioctylazanide.
What is the SMILES notation for sodium dioctylazanide?
The canonical SMILES for sodium dioctylazanide is CCCCCCCC[N-]CCCCCCCC.[Na+].
What is the InChIKey of sodium dioctylazanide?
The InChIKey is YSBNGHIFSHSKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N.Na/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;/q-1;+1.
What are the key properties of sodium dioctylazanide?
sodium dioctylazanide has a molecular weight of 263.44 g/mol, XLogP of 3.09, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium dioctylazanide is sourced from PubChem (CID 87162823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).