cycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)

C16H27NTi — CID 150810878

IUPACcycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
SMILESCc1c[c-](C)c(C)c1C.[NH-]C1CCCCCC1.[Ti+2]
InChIInChI=1S/C9H13.C7H14N.Ti/c1-6-5-7(2)9(4)8(6)3;8-7-5-3-1-2-4-6-7;/h5H,1-4H3;7-8H,1-6H2;/q2*-1;+2
InChIKeyKHWFKYCORGEZRZ-UHFFFAOYSA-N
MW281.27 g/mol
LogP5.40
Rot. Bonds

About cycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)

cycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) (PubChem CID 150810878) has the molecular formula C16H27NTi and a molecular weight of 281.27 g/mol. Its IUPAC name is cycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+).

Molecular Properties

Compound Namecycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
PubChem CID150810878
Molecular FormulaC16H27NTi
Molecular Weight281.27 g/mol
Exact Mass281.16
IUPAC Namecycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
SMILESCc1c[c-](C)c(C)c1C.[NH-]C1CCCCCC1.[Ti+2]
InChIInChI=1S/C9H13.C7H14N.Ti/c1-6-5-7(2)9(4)8(6)3;8-7-5-3-1-2-4-6-7;/h5H,1-4H3;7-8H,1-6H2;/q2*-1;+2
InChIKeyKHWFKYCORGEZRZ-UHFFFAOYSA-N
XLogP5.40
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.27
LogP ≤ 55.40
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 cycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The IUPAC name of cycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) (CID 150810878) is cycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+).
What is the SMILES notation for cycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The canonical SMILES for cycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) is Cc1c[c-](C)c(C)c1C.[NH-]C1CCCCCC1.[Ti+2].
What is the InChIKey of cycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The InChIKey is KHWFKYCORGEZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C7H14N.Ti/c1-6-5-7(2)9(4)8(6)3;8-7-5-3-1-2-4-6-7;/h5H,1-4H3;7-8H,1-6H2;/q2*-1;+2.
What are the key properties of cycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
cycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) has a molecular weight of 281.27 g/mol, XLogP of 5.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) is sourced from PubChem (CID 150810878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).