bis(dioctylazanide);neodymium;hydrochloride

C32H69ClN2Nd-2 — CID 87163726

IUPACbis(dioctylazanide);neodymium;hydrochloride
SMILESCCCCCCCC[N-]CCCCCCCC.CCCCCCCC[N-]CCCCCCCC.Cl.[Nd]
InChIInChI=1S/2C16H34N.ClH.Nd/c2*1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;;/h2*3-16H2,1-2H3;1H;/q2*-1;;
InChIKeyOAPWUEPIPGNAFC-UHFFFAOYSA-N
MW661.61 g/mol
LogP12.58
Rot. Bonds28

About bis(dioctylazanide);neodymium;hydrochloride

bis(dioctylazanide);neodymium;hydrochloride (PubChem CID 87163726) has the molecular formula C32H69ClN2Nd-2 and a molecular weight of 661.61 g/mol. Its IUPAC name is bis(dioctylazanide);neodymium;hydrochloride.

Molecular Properties

Compound Namebis(dioctylazanide);neodymium;hydrochloride
PubChem CID87163726
Molecular FormulaC32H69ClN2Nd-2
Molecular Weight661.61 g/mol
Exact Mass658.42
IUPAC Namebis(dioctylazanide);neodymium;hydrochloride
SMILESCCCCCCCC[N-]CCCCCCCC.CCCCCCCC[N-]CCCCCCCC.Cl.[Nd]
InChIInChI=1S/2C16H34N.ClH.Nd/c2*1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;;/h2*3-16H2,1-2H3;1H;/q2*-1;;
InChIKeyOAPWUEPIPGNAFC-UHFFFAOYSA-N
XLogP12.58
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.61
LogP ≤ 512.58
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

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sodium dioctylazanide
CID 87162823
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CID 172817339
bis(didecylazanide);titanium(4+);dichloride
CID 162188453
bis(dihexylazanide);neodymium(3+);bromide
CID 172683698
chlorotitanium(1+);dioctylazanide
CID 174285151
tris(dioctylazanide);methanol;titanium(3+)
CID 21464044
cesium dibutylazanide
CID 161226545
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
nonadecane;hydrochloride
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pentacosane;hydrochloride
CID 172714496

Frequently Asked Questions

What is the IUPAC name of bis(dioctylazanide);neodymium;hydrochloride?
The IUPAC name of bis(dioctylazanide);neodymium;hydrochloride (CID 87163726) is bis(dioctylazanide);neodymium;hydrochloride.
What is the SMILES notation for bis(dioctylazanide);neodymium;hydrochloride?
The canonical SMILES for bis(dioctylazanide);neodymium;hydrochloride is CCCCCCCC[N-]CCCCCCCC.CCCCCCCC[N-]CCCCCCCC.Cl.[Nd].
What is the InChIKey of bis(dioctylazanide);neodymium;hydrochloride?
The InChIKey is OAPWUEPIPGNAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H34N.ClH.Nd/c2*1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;;/h2*3-16H2,1-2H3;1H;/q2*-1;;.
What are the key properties of bis(dioctylazanide);neodymium;hydrochloride?
bis(dioctylazanide);neodymium;hydrochloride has a molecular weight of 661.61 g/mol, XLogP of 12.58, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dioctylazanide);neodymium;hydrochloride is sourced from PubChem (CID 87163726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).