bis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium

C19H34N3Ti-5 — CID 172740407

IUPACbis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium
SMILESCC[N-]C.CC[N-]C.CC[N-]C.[Ti].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.3C3H8N.Ti/c2*1-2-4-5-3-1;3*1-3-4-2;/h2*1-5H;3*3H2,1-2H3;/q5*-1;
InChIKeyWLCXAXJSPMGHGW-UHFFFAOYSA-N
MW352.37 g/mol
LogP5.84
Rot. Bonds3

About bis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium

bis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium (PubChem CID 172740407) has the molecular formula C19H34N3Ti-5 and a molecular weight of 352.37 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium
PubChem CID172740407
Molecular FormulaC19H34N3Ti-5
Molecular Weight352.37 g/mol
Exact Mass352.23
IUPAC Namebis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium
SMILESCC[N-]C.CC[N-]C.CC[N-]C.[Ti].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.3C3H8N.Ti/c2*1-2-4-5-3-1;3*1-3-4-2;/h2*1-5H;3*3H2,1-2H3;/q5*-1;
InChIKeyWLCXAXJSPMGHGW-UHFFFAOYSA-N
XLogP5.84
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.37
LogP ≤ 55.84
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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Related Compounds

bis(cyclopenta-1,3-diene);tris(diethylazanide);titanium
CID 150005102
cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+)
CID 75124254
cyclopenta-1,3-diene;ethanol;titanium
CID 23263646
tert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide)
CID 162681920
cyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride
CID 158115466
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CID 139931160
cobalt;cyclopenta-1,3-diene
CID 25199992
dimethylazanide;ethyl(methyl)azanide;yttrium
CID 58308748
bis(cyclopenta-1,3-diene);gold
CID 140990202
ethyl(methyl)azanide;yttrium(3+)
CID 170554695
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
bis(cyclopenta-1,3-diene);nickel
CID 25199994

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium?
The IUPAC name of bis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium (CID 172740407) is bis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium.
What is the SMILES notation for bis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium?
The canonical SMILES for bis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium is CC[N-]C.CC[N-]C.CC[N-]C.[Ti].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium?
The InChIKey is WLCXAXJSPMGHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.3C3H8N.Ti/c2*1-2-4-5-3-1;3*1-3-4-2;/h2*1-5H;3*3H2,1-2H3;/q5*-1;.
What are the key properties of bis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium?
bis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium has a molecular weight of 352.37 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);ethyl(methyl)azanide;titanium is sourced from PubChem (CID 172740407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).