buta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+)

C14H26N2Ti — CID 19035402

IUPACbuta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+)
SMILESC=CC=C.C[N-]C.C[N-]C.[C-]1=CC=CC1.[CH3-].[Ti+4]
InChIInChI=1S/C5H5.C4H6.2C2H6N.CH3.Ti/c1-2-4-5-3-1;1-3-4-2;2*1-3-2;;/h1-3H,4H2;3-4H,1-2H2;2*1-2H3;1H3;/q-1;;3*-1;+4
InChIKeyPCDSCGHPQKWFLJ-UHFFFAOYSA-N
MW270.24 g/mol
LogP4.35
Rot. Bonds1

About buta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+)

buta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+) (PubChem CID 19035402) has the molecular formula C14H26N2Ti and a molecular weight of 270.24 g/mol. Its IUPAC name is buta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+).

Molecular Properties

Compound Namebuta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+)
PubChem CID19035402
Molecular FormulaC14H26N2Ti
Molecular Weight270.24 g/mol
Exact Mass270.16
IUPAC Namebuta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+)
SMILESC=CC=C.C[N-]C.C[N-]C.[C-]1=CC=CC1.[CH3-].[Ti+4]
InChIInChI=1S/C5H5.C4H6.2C2H6N.CH3.Ti/c1-2-4-5-3-1;1-3-4-2;2*1-3-2;;/h1-3H,4H2;3-4H,1-2H2;2*1-2H3;1H3;/q-1;;3*-1;+4
InChIKeyPCDSCGHPQKWFLJ-UHFFFAOYSA-N
XLogP4.35
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze buta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+) with MolForge

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Related Compounds

Bis(cyclopentadienyl)bis(dimethylamino)titanium
CID 21946355
CID 134889008
CID 134889008
CID 135046880
CID 135046880
CID 11085528
CID 11085528
N-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine
CID 15247421
N-[cyclopenta-1,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine
CID 134888025
N-[cyclopenta-1,3-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine
CID 134888131
cyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine
CID 135048996
Cyclopenta-1,3-diene;bis(dimethylazanide);titanium(3+)
CID 17922065
Carbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+)
CID 18428881
Cyclopenta-1,3-diene;tris(diethylazanide);titanium(4+)
CID 18462450
cyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+)
CID 18766758

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+)?
The IUPAC name of buta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+) (CID 19035402) is buta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+).
What is the SMILES notation for buta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+)?
The canonical SMILES for buta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+) is C=CC=C.C[N-]C.C[N-]C.[C-]1=CC=CC1.[CH3-].[Ti+4].
What is the InChIKey of buta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+)?
The InChIKey is PCDSCGHPQKWFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H6.2C2H6N.CH3.Ti/c1-2-4-5-3-1;1-3-4-2;2*1-3-2;;/h1-3H,4H2;3-4H,1-2H2;2*1-2H3;1H3;/q-1;;3*-1;+4.
What are the key properties of buta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+)?
buta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+) has a molecular weight of 270.24 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+) is sourced from PubChem (CID 19035402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).