bis(dihexylazanide);neodymium(3+);bromide

C24H52BrN2Nd — CID 172683698

IUPACbis(dihexylazanide);neodymium(3+);bromide
SMILESCCCCCC[N-]CCCCCC.CCCCCC[N-]CCCCCC.[Br-].[Nd+3]
InChIInChI=1S/2C12H26N.BrH.Nd/c2*1-3-5-7-9-11-13-12-10-8-6-4-2;;/h2*3-12H2,1-2H3;1H;/q2*-1;;+3/p-1
InChIKeyATBFVNKMGBRJGX-UHFFFAOYSA-M
MW592.84 g/mol
LogP6.05
Rot. Bonds20

About bis(dihexylazanide);neodymium(3+);bromide

bis(dihexylazanide);neodymium(3+);bromide (PubChem CID 172683698) has the molecular formula C24H52BrN2Nd and a molecular weight of 592.84 g/mol. Its IUPAC name is bis(dihexylazanide);neodymium(3+);bromide.

Molecular Properties

Compound Namebis(dihexylazanide);neodymium(3+);bromide
PubChem CID172683698
Molecular FormulaC24H52BrN2Nd
Molecular Weight592.84 g/mol
Exact Mass589.24
IUPAC Namebis(dihexylazanide);neodymium(3+);bromide
SMILESCCCCCC[N-]CCCCCC.CCCCCC[N-]CCCCCC.[Br-].[Nd+3]
InChIInChI=1S/2C12H26N.BrH.Nd/c2*1-3-5-7-9-11-13-12-10-8-6-4-2;;/h2*3-12H2,1-2H3;1H;/q2*-1;;+3/p-1
InChIKeyATBFVNKMGBRJGX-UHFFFAOYSA-M
XLogP6.05
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.84
LogP ≤ 56.05
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(dihexylazanide);neodymium;hydrochloride
CID 87163649
bis(dioctylazanide);neodymium;hydrochloride
CID 87163726
chlorotitanium(1+);dioctylazanide
CID 174285151
tris(dioctylazanide);methanol;titanium(3+)
CID 21464044
cesium dibutylazanide
CID 161226545
aluminum;lithium;bis(dibutylazanide);hydride
CID 19967643
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
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CID 162065772
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of bis(dihexylazanide);neodymium(3+);bromide?
The IUPAC name of bis(dihexylazanide);neodymium(3+);bromide (CID 172683698) is bis(dihexylazanide);neodymium(3+);bromide.
What is the SMILES notation for bis(dihexylazanide);neodymium(3+);bromide?
The canonical SMILES for bis(dihexylazanide);neodymium(3+);bromide is CCCCCC[N-]CCCCCC.CCCCCC[N-]CCCCCC.[Br-].[Nd+3].
What is the InChIKey of bis(dihexylazanide);neodymium(3+);bromide?
The InChIKey is ATBFVNKMGBRJGX-UHFFFAOYSA-M. The full InChI is InChI=1S/2C12H26N.BrH.Nd/c2*1-3-5-7-9-11-13-12-10-8-6-4-2;;/h2*3-12H2,1-2H3;1H;/q2*-1;;+3/p-1.
What are the key properties of bis(dihexylazanide);neodymium(3+);bromide?
bis(dihexylazanide);neodymium(3+);bromide has a molecular weight of 592.84 g/mol, XLogP of 6.05, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihexylazanide);neodymium(3+);bromide is sourced from PubChem (CID 172683698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).