ethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium

C13H26NTi-5 — CID 158428900

IUPACethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium
SMILESC[NH-].C[c-]1cccc1.[CH2-]C.[CH2-]C.[CH2-]C.[Ti]
InChIInChI=1S/C6H7.3C2H5.CH4N.Ti/c1-6-4-2-3-5-6;4*1-2;/h2-5H,1H3;3*1H2,2H3;2H,1H3;/q5*-1;
InChIKeyMYWMPYHACLZGBQ-UHFFFAOYSA-N
MW244.23 g/mol
LogP4.90
Rot. Bonds

About ethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium

ethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium (PubChem CID 158428900) has the molecular formula C13H26NTi-5 and a molecular weight of 244.23 g/mol. Its IUPAC name is ethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Nameethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium
PubChem CID158428900
Molecular FormulaC13H26NTi-5
Molecular Weight244.23 g/mol
Exact Mass244.16
IUPAC Nameethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium
SMILESC[NH-].C[c-]1cccc1.[CH2-]C.[CH2-]C.[CH2-]C.[Ti]
InChIInChI=1S/C6H7.3C2H5.CH4N.Ti/c1-6-4-2-3-5-6;4*1-2;/h2-5H,1H3;3*1H2,2H3;2H,1H3;/q5*-1;
InChIKeyMYWMPYHACLZGBQ-UHFFFAOYSA-N
XLogP4.90
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 54.90
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(5-methylcyclopenta-1,3-diene);zirconium(4+)
CID 159550876
5-methylcyclopenta-1,3-diene;trichlorozirconium
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tert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+)
CID 150958028
CID 158394862
CID 158394862
cyclopentane;iron;5-methylcyclopenta-1,3-diene;trimethylsilane
CID 174670770
diethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+)
CID 172750424
CID 160679400
CID 160679400
1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene
CID 172558213
ethane;methylazanide;zirconium(2+)
CID 154083360
ethane;methylazanide;tantalum(2+)
CID 87444383
carbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane
CID 11987478
ethane;hafnium;methylazanide
CID 154084666

Frequently Asked Questions

What is the IUPAC name of ethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium?
The IUPAC name of ethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium (CID 158428900) is ethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for ethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium?
The canonical SMILES for ethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium is C[NH-].C[c-]1cccc1.[CH2-]C.[CH2-]C.[CH2-]C.[Ti].
What is the InChIKey of ethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium?
The InChIKey is MYWMPYHACLZGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.3C2H5.CH4N.Ti/c1-6-4-2-3-5-6;4*1-2;/h2-5H,1H3;3*1H2,2H3;2H,1H3;/q5*-1;.
What are the key properties of ethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium?
ethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium has a molecular weight of 244.23 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylazanide;5-methylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 158428900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).