cyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+)

C21H46N6Ti — CID 139100171

IUPACcyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+)
SMILESCN(C)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C[N-]C.C[N-]C.C[N-]C.[Ti+4]
InChIInChI=1S/C15H28N3.3C2H6N.Ti/c1-18(2)15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14;3*1-3-2;/h13-14H,3-12H2,1-2H3;3*1-2H3;/q4*-1;+4
InChIKeyKRNCINDINHKHKP-UHFFFAOYSA-N
MW430.51 g/mol
LogP5.80
Rot. Bonds2

About cyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+)

cyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+) (PubChem CID 139100171) has the molecular formula C21H46N6Ti and a molecular weight of 430.51 g/mol. Its IUPAC name is cyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+).

Molecular Properties

Compound Namecyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+)
PubChem CID139100171
Molecular FormulaC21H46N6Ti
Molecular Weight430.51 g/mol
Exact Mass430.33
IUPAC Namecyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+)
SMILESCN(C)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C[N-]C.C[N-]C.C[N-]C.[Ti+4]
InChIInChI=1S/C15H28N3.3C2H6N.Ti/c1-18(2)15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14;3*1-3-2;/h13-14H,3-12H2,1-2H3;3*1-2H3;/q4*-1;+4
InChIKeyKRNCINDINHKHKP-UHFFFAOYSA-N
XLogP5.80
TPSA72.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.80
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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Related Compounds

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CID 10948531
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CID 13497235
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CID 18363112
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CID 21468131
CID 21468131
CID 21468132
CID 21468132
CID 21468136
CID 21468136
CID 53812487
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CID 54575026
CID 54575026

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+)?
The IUPAC name of cyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+) (CID 139100171) is cyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+).
What is the SMILES notation for cyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+)?
The canonical SMILES for cyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+) is CN(C)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C[N-]C.C[N-]C.C[N-]C.[Ti+4].
What is the InChIKey of cyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+)?
The InChIKey is KRNCINDINHKHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N3.3C2H6N.Ti/c1-18(2)15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14;3*1-3-2;/h13-14H,3-12H2,1-2H3;3*1-2H3;/q4*-1;+4.
What are the key properties of cyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+)?
cyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+) has a molecular weight of 430.51 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(N'-cyclohexyl-N,N-dimethylcarbamimidoyl)azanide;tris(dimethylazanide);titanium(4+) is sourced from PubChem (CID 139100171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).