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

C17H31NTi — CID 150984105

IUPACoctylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
SMILESCCCCCCCC[NH-].Cc1c[c-](C)c(C)c1C.[Ti+2]
InChIInChI=1S/C9H13.C8H18N.Ti/c1-6-5-7(2)9(4)8(6)3;1-2-3-4-5-6-7-8-9;/h5H,1-4H3;9H,2-8H2,1H3;/q2*-1;+2
InChIKeyLQSCFQSOGWMRLD-UHFFFAOYSA-N
MW297.31 g/mol
LogP6.04
Rot. Bonds6

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

octylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) (PubChem CID 150984105) has the molecular formula C17H31NTi and a molecular weight of 297.31 g/mol. Its IUPAC name is octylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+).

Molecular Properties

Compound Nameoctylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
PubChem CID150984105
Molecular FormulaC17H31NTi
Molecular Weight297.31 g/mol
Exact Mass297.19
IUPAC Nameoctylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
SMILESCCCCCCCC[NH-].Cc1c[c-](C)c(C)c1C.[Ti+2]
InChIInChI=1S/C9H13.C8H18N.Ti/c1-6-5-7(2)9(4)8(6)3;1-2-3-4-5-6-7-8-9;/h5H,1-4H3;9H,2-8H2,1H3;/q2*-1;+2
InChIKeyLQSCFQSOGWMRLD-UHFFFAOYSA-N
XLogP6.04
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.31
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of octylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The IUPAC name of octylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) (CID 150984105) is octylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+).
What is the SMILES notation for octylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The canonical SMILES for octylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) is CCCCCCCC[NH-].Cc1c[c-](C)c(C)c1C.[Ti+2].
What is the InChIKey of octylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The InChIKey is LQSCFQSOGWMRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C8H18N.Ti/c1-6-5-7(2)9(4)8(6)3;1-2-3-4-5-6-7-8-9;/h5H,1-4H3;9H,2-8H2,1H3;/q2*-1;+2.
What are the key properties of octylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
octylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) has a molecular weight of 297.31 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) is sourced from PubChem (CID 150984105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).