carbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+)

C24H45NTi — CID 140994461

IUPACcarbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+)
SMILESCc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[NH-]C1CCCCCCCCCCC1.[Ti+4]
InChIInChI=1S/C12H24N.C10H15.2CH3.Ti/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-6-7(2)9(4)10(5)8(6)3;;;/h12-13H,1-11H2;1-5H3;2*1H3;/q4*-1;+4
InChIKeyJSWSUEHENFWJHK-UHFFFAOYSA-N
MW395.50 g/mol
LogP8.56
Rot. Bonds

About carbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+)

carbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+) (PubChem CID 140994461) has the molecular formula C24H45NTi and a molecular weight of 395.50 g/mol. Its IUPAC name is carbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+).

Molecular Properties

Compound Namecarbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+)
PubChem CID140994461
Molecular FormulaC24H45NTi
Molecular Weight395.50 g/mol
Exact Mass395.30
IUPAC Namecarbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+)
SMILESCc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[NH-]C1CCCCCCCCCCC1.[Ti+4]
InChIInChI=1S/C12H24N.C10H15.2CH3.Ti/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-6-7(2)9(4)10(5)8(6)3;;;/h12-13H,1-11H2;1-5H3;2*1H3;/q4*-1;+4
InChIKeyJSWSUEHENFWJHK-UHFFFAOYSA-N
XLogP8.56
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+)?
The IUPAC name of carbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+) (CID 140994461) is carbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+).
What is the SMILES notation for carbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+)?
The canonical SMILES for carbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+) is Cc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[NH-]C1CCCCCCCCCCC1.[Ti+4].
What is the InChIKey of carbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+)?
The InChIKey is JSWSUEHENFWJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N.C10H15.2CH3.Ti/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-6-7(2)9(4)10(5)8(6)3;;;/h12-13H,1-11H2;1-5H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+)?
carbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+) has a molecular weight of 395.50 g/mol, XLogP of 8.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclododecylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+) is sourced from PubChem (CID 140994461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).