bis(dihexylazanide);neodymium;hydrochloride

C24H53ClN2Nd-2 — CID 87163649

IUPACbis(dihexylazanide);neodymium;hydrochloride
SMILESCCCCCC[N-]CCCCCC.CCCCCC[N-]CCCCCC.Cl.[Nd]
InChIInChI=1S/2C12H26N.ClH.Nd/c2*1-3-5-7-9-11-13-12-10-8-6-4-2;;/h2*3-12H2,1-2H3;1H;/q2*-1;;
InChIKeyVQMSTDKSSWSTFX-UHFFFAOYSA-N
MW549.40 g/mol
LogP9.46
Rot. Bonds20

About bis(dihexylazanide);neodymium;hydrochloride

bis(dihexylazanide);neodymium;hydrochloride (PubChem CID 87163649) has the molecular formula C24H53ClN2Nd-2 and a molecular weight of 549.40 g/mol. Its IUPAC name is bis(dihexylazanide);neodymium;hydrochloride.

Molecular Properties

Compound Namebis(dihexylazanide);neodymium;hydrochloride
PubChem CID87163649
Molecular FormulaC24H53ClN2Nd-2
Molecular Weight549.40 g/mol
Exact Mass546.30
IUPAC Namebis(dihexylazanide);neodymium;hydrochloride
SMILESCCCCCC[N-]CCCCCC.CCCCCC[N-]CCCCCC.Cl.[Nd]
InChIInChI=1S/2C12H26N.ClH.Nd/c2*1-3-5-7-9-11-13-12-10-8-6-4-2;;/h2*3-12H2,1-2H3;1H;/q2*-1;;
InChIKeyVQMSTDKSSWSTFX-UHFFFAOYSA-N
XLogP9.46
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.40
LogP ≤ 59.46
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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bis(didecylazanide);titanium(4+);dichloride
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bis(dihexylazanide);neodymium(3+);bromide
CID 172683698
chlorotitanium(1+);dioctylazanide
CID 174285151
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CID 21464044
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CID 161226545
icosane;tetrahydrochloride
CID 143212018
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CID 160833718
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pentacosane;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of bis(dihexylazanide);neodymium;hydrochloride?
The IUPAC name of bis(dihexylazanide);neodymium;hydrochloride (CID 87163649) is bis(dihexylazanide);neodymium;hydrochloride.
What is the SMILES notation for bis(dihexylazanide);neodymium;hydrochloride?
The canonical SMILES for bis(dihexylazanide);neodymium;hydrochloride is CCCCCC[N-]CCCCCC.CCCCCC[N-]CCCCCC.Cl.[Nd].
What is the InChIKey of bis(dihexylazanide);neodymium;hydrochloride?
The InChIKey is VQMSTDKSSWSTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H26N.ClH.Nd/c2*1-3-5-7-9-11-13-12-10-8-6-4-2;;/h2*3-12H2,1-2H3;1H;/q2*-1;;.
What are the key properties of bis(dihexylazanide);neodymium;hydrochloride?
bis(dihexylazanide);neodymium;hydrochloride has a molecular weight of 549.40 g/mol, XLogP of 9.46, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihexylazanide);neodymium;hydrochloride is sourced from PubChem (CID 87163649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).