tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+)

C42H75N6Nd — CID 11170307

IUPACtris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+)
SMILESC/C(=N\C1CCCCC1)[N-]C1CCCCC1.C/C(=N\C1CCCCC1)[N-]C1CCCCC1.C/C(=N\C1CCCCC1)[N-]C1CCCCC1.[Nd+3]
InChIInChI=1S/3C14H25N2.Nd/c3*1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14;/h3*13-14H,2-11H2,1H3;/q3*-1;+3
InChIKeyAIZNIFVKSSLZSG-UHFFFAOYSA-N
MW808.34 g/mol
LogP13.33
Rot. Bonds6

About tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+)

tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+) (PubChem CID 11170307) has the molecular formula C42H75N6Nd and a molecular weight of 808.34 g/mol. Its IUPAC name is tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+).

Molecular Properties

Compound Nametris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+)
PubChem CID11170307
Molecular FormulaC42H75N6Nd
Molecular Weight808.34 g/mol
Exact Mass805.51
IUPAC Nametris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+)
SMILESC/C(=N\C1CCCCC1)[N-]C1CCCCC1.C/C(=N\C1CCCCC1)[N-]C1CCCCC1.C/C(=N\C1CCCCC1)[N-]C1CCCCC1.[Nd+3]
InChIInChI=1S/3C14H25N2.Nd/c3*1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14;/h3*13-14H,2-11H2,1H3;/q3*-1;+3
InChIKeyAIZNIFVKSSLZSG-UHFFFAOYSA-N
XLogP13.33
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.34
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+)
CID 139137843
N-cyclohexylethanimidoyl fluoride
CID 24977694
N-cyclohexyl-3-methylbut-3-en-2-imine
CID 86006546
2-cyclohexylimino-N,N-dimethylbutan-1-amine
CID 123240449
N-cyclohexyl-2-methyl-1-phosphanylprop-2-en-1-imine
CID 166712384
N-cyclooctyl-1-triethylsilylethanimine
CID 101358854
lithium cyclohexyl(methyl)azanide
CID 18737430
N,N'-dicyclohexylmethanediimine;propan-2-one
CID 142827484
tetrakis(bis(dimethylsilyl)azanide);bis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);oxolane;bis(yttrium(3+))
CID 139176139
dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene
CID 139088227
tetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate
CID 139132145
N'-cyclopentyl-3-methylbut-2-enimidamide
CID 142193446

Frequently Asked Questions

What is the IUPAC name of tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+)?
The IUPAC name of tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+) (CID 11170307) is tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+).
What is the SMILES notation for tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+)?
The canonical SMILES for tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+) is C/C(=N\C1CCCCC1)[N-]C1CCCCC1.C/C(=N\C1CCCCC1)[N-]C1CCCCC1.C/C(=N\C1CCCCC1)[N-]C1CCCCC1.[Nd+3].
What is the InChIKey of tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+)?
The InChIKey is AIZNIFVKSSLZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H25N2.Nd/c3*1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14;/h3*13-14H,2-11H2,1H3;/q3*-1;+3.
What are the key properties of tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+)?
tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+) has a molecular weight of 808.34 g/mol, XLogP of 13.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+) is sourced from PubChem (CID 11170307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).