cyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+)

C25H51N6Ta — CID 15387540

IUPACcyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+)
SMILESC1CCC(N=C([N-]C2CCCCC2)[N-]C2CCCCC2)CC1.C[N-]C.C[N-]C.C[N-]C.[Ta+5]
InChIInChI=1S/C19H33N3.3C2H6N.Ta/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;3*1-3-2;/h16-18H,1-15H2;3*1-2H3;/q-2;3*-1;+5
InChIKeyCOJNSXKWEFMNAZ-UHFFFAOYSA-N
MW616.67 g/mol
LogP7.94
Rot. Bonds3

About cyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+)

cyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+) (PubChem CID 15387540) has the molecular formula C25H51N6Ta and a molecular weight of 616.67 g/mol. Its IUPAC name is cyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+).

Molecular Properties

Compound Namecyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+)
PubChem CID15387540
Molecular FormulaC25H51N6Ta
Molecular Weight616.67 g/mol
Exact Mass616.37
IUPAC Namecyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+)
SMILESC1CCC(N=C([N-]C2CCCCC2)[N-]C2CCCCC2)CC1.C[N-]C.C[N-]C.C[N-]C.[Ta+5]
InChIInChI=1S/C19H33N3.3C2H6N.Ta/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;3*1-3-2;/h16-18H,1-15H2;3*1-2H3;/q-2;3*-1;+5
InChIKeyCOJNSXKWEFMNAZ-UHFFFAOYSA-N
XLogP7.94
TPSA82.86 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.67
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+)?
The IUPAC name of cyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+) (CID 15387540) is cyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+).
What is the SMILES notation for cyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+)?
The canonical SMILES for cyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+) is C1CCC(N=C([N-]C2CCCCC2)[N-]C2CCCCC2)CC1.C[N-]C.C[N-]C.C[N-]C.[Ta+5].
What is the InChIKey of cyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+)?
The InChIKey is COJNSXKWEFMNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3.3C2H6N.Ta/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;3*1-3-2;/h16-18H,1-15H2;3*1-2H3;/q-2;3*-1;+5.
What are the key properties of cyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+)?
cyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+) has a molecular weight of 616.67 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(N-cyclohexyl-C-cyclohexylazanidylcarbonimidoyl)azanide;tris(dimethylazanide);tantalum(5+) is sourced from PubChem (CID 15387540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).