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

C15H25NTi — CID 151385637

IUPACcyclohexylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
SMILESCc1c[c-](C)c(C)c1C.[NH-]C1CCCCC1.[Ti+2]
InChIInChI=1S/C9H13.C6H12N.Ti/c1-6-5-7(2)9(4)8(6)3;7-6-4-2-1-3-5-6;/h5H,1-4H3;6-7H,1-5H2;/q2*-1;+2
InChIKeyOTIMXVWMVZWBFC-UHFFFAOYSA-N
MW267.24 g/mol
LogP5.01
Rot. Bonds

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

cyclohexylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) (PubChem CID 151385637) has the molecular formula C15H25NTi and a molecular weight of 267.24 g/mol. Its IUPAC name is cyclohexylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+).

Molecular Properties

Compound Namecyclohexylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
PubChem CID151385637
Molecular FormulaC15H25NTi
Molecular Weight267.24 g/mol
Exact Mass267.15
IUPAC Namecyclohexylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
SMILESCc1c[c-](C)c(C)c1C.[NH-]C1CCCCC1.[Ti+2]
InChIInChI=1S/C9H13.C6H12N.Ti/c1-6-5-7(2)9(4)8(6)3;7-6-4-2-1-3-5-6;/h5H,1-4H3;6-7H,1-5H2;/q2*-1;+2
InChIKeyOTIMXVWMVZWBFC-UHFFFAOYSA-N
XLogP5.01
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.24
LogP ≤ 55.01
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 cyclohexylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The IUPAC name of cyclohexylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) (CID 151385637) is cyclohexylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+).
What is the SMILES notation for cyclohexylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The canonical SMILES for cyclohexylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) is Cc1c[c-](C)c(C)c1C.[NH-]C1CCCCC1.[Ti+2].
What is the InChIKey of cyclohexylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The InChIKey is OTIMXVWMVZWBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C6H12N.Ti/c1-6-5-7(2)9(4)8(6)3;7-6-4-2-1-3-5-6;/h5H,1-4H3;6-7H,1-5H2;/q2*-1;+2.
What are the key properties of cyclohexylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
cyclohexylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) has a molecular weight of 267.24 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) is sourced from PubChem (CID 151385637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).