cyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+)

C11H19NTi — CID 18766758

IUPACcyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+)
SMILES[C-]1=CC=CC1.[CH2-]CN(CC)CC.[Ti+2]
InChIInChI=1S/C6H14N.C5H5.Ti/c1-4-7(5-2)6-3;1-2-4-5-3-1;/h1,4-6H2,2-3H3;1-3H,4H2;/q2*-1;+2
InChIKeyZBNRSXFSDFFAIA-UHFFFAOYSA-N
MW213.15 g/mol
LogP2.47
Rot. Bonds3

About cyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+)

cyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+) (PubChem CID 18766758) has the molecular formula C11H19NTi and a molecular weight of 213.15 g/mol. Its IUPAC name is cyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+)
PubChem CID18766758
Molecular FormulaC11H19NTi
Molecular Weight213.15 g/mol
Exact Mass213.10
IUPAC Namecyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+)
SMILES[C-]1=CC=CC1.[CH2-]CN(CC)CC.[Ti+2]
InChIInChI=1S/C6H14N.C5H5.Ti/c1-4-7(5-2)6-3;1-2-4-5-3-1;/h1,4-6H2,2-3H3;1-3H,4H2;/q2*-1;+2
InChIKeyZBNRSXFSDFFAIA-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 cyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+)?
The IUPAC name of cyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+) (CID 18766758) is cyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+) is [C-]1=CC=CC1.[CH2-]CN(CC)CC.[Ti+2].
What is the InChIKey of cyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+)?
The InChIKey is ZBNRSXFSDFFAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.C5H5.Ti/c1-4-7(5-2)6-3;1-2-4-5-3-1;/h1,4-6H2,2-3H3;1-3H,4H2;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+)?
cyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+) has a molecular weight of 213.15 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+) is sourced from PubChem (CID 18766758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).