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

C13H23NTi — CID 87721618

IUPACN,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
SMILESCC1=[C-]C(C)C(C)=C1C.[CH2-]CN(C)C.[Ti+2]
InChIInChI=1S/C9H13.C4H10N.Ti/c1-6-5-7(2)9(4)8(6)3;1-4-5(2)3;/h6H,1-4H3;1,4H2,2-3H3;/q2*-1;+2
InChIKeyITZBGMZKWMAKQJ-UHFFFAOYSA-N
MW241.20 g/mol
LogP3.10
Rot. Bonds1

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

N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) (PubChem CID 87721618) has the molecular formula C13H23NTi and a molecular weight of 241.20 g/mol. Its IUPAC name is N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+).

Molecular Properties

Compound NameN,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
PubChem CID87721618
Molecular FormulaC13H23NTi
Molecular Weight241.20 g/mol
Exact Mass241.13
IUPAC NameN,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
SMILESCC1=[C-]C(C)C(C)=C1C.[CH2-]CN(C)C.[Ti+2]
InChIInChI=1S/C9H13.C4H10N.Ti/c1-6-5-7(2)9(4)8(6)3;1-4-5(2)3;/h6H,1-4H3;1,4H2,2-3H3;/q2*-1;+2
InChIKeyITZBGMZKWMAKQJ-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The IUPAC name of N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) (CID 87721618) is N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+).
What is the SMILES notation for N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The canonical SMILES for N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) is CC1=[C-]C(C)C(C)=C1C.[CH2-]CN(C)C.[Ti+2].
What is the InChIKey of N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The InChIKey is ITZBGMZKWMAKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C4H10N.Ti/c1-6-5-7(2)9(4)8(6)3;1-4-5(2)3;/h6H,1-4H3;1,4H2,2-3H3;/q2*-1;+2.
What are the key properties of N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) has a molecular weight of 241.20 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) is sourced from PubChem (CID 87721618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).