bis(dibutylazanide);dichlorotitanium

C16H36Cl2N2Ti-2 — CID 87309711

IUPACbis(dibutylazanide);dichlorotitanium
SMILESCCCC[N-]CCCC.CCCC[N-]CCCC.Cl[Ti]Cl
InChIInChI=1S/2C8H18N.2ClH.Ti/c2*1-3-5-7-9-8-6-4-2;;;/h2*3-8H2,1-2H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyHSGSIQJMKWPAGZ-UHFFFAOYSA-L
MW375.25 g/mol
LogP7.30
Rot. Bonds12

About bis(dibutylazanide);dichlorotitanium

bis(dibutylazanide);dichlorotitanium (PubChem CID 87309711) has the molecular formula C16H36Cl2N2Ti-2 and a molecular weight of 375.25 g/mol. Its IUPAC name is bis(dibutylazanide);dichlorotitanium.

Molecular Properties

Compound Namebis(dibutylazanide);dichlorotitanium
PubChem CID87309711
Molecular FormulaC16H36Cl2N2Ti-2
Molecular Weight375.25 g/mol
Exact Mass374.17
IUPAC Namebis(dibutylazanide);dichlorotitanium
SMILESCCCC[N-]CCCC.CCCC[N-]CCCC.Cl[Ti]Cl
InChIInChI=1S/2C8H18N.2ClH.Ti/c2*1-3-5-7-9-8-6-4-2;;;/h2*3-8H2,1-2H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyHSGSIQJMKWPAGZ-UHFFFAOYSA-L
XLogP7.30
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.25
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cesium dibutylazanide
CID 161226545
aluminum;lithium;bis(dibutylazanide);hydride
CID 19967643
chlorotitanium(1+);dioctylazanide
CID 174285151
sodium dioctylazanide
CID 87162823
tetrakis(didecylazanide);ruthenium(4+)
CID 172817339
bis(didecylazanide);titanium(4+);dichloride
CID 162188453
butyl-[methanidyl(dimethyl)silyl]azanide;dichlorotitanium
CID 59057451
bis(dihexylazanide);neodymium(3+);bromide
CID 172683698
bis(dihexylazanide);neodymium;hydrochloride
CID 87163649
bis(dioctylazanide);neodymium;hydrochloride
CID 87163726
tris(dioctylazanide);methanol;titanium(3+)
CID 21464044
dichlorotitanium;bis(pentane)
CID 18688492

Frequently Asked Questions

What is the IUPAC name of bis(dibutylazanide);dichlorotitanium?
The IUPAC name of bis(dibutylazanide);dichlorotitanium (CID 87309711) is bis(dibutylazanide);dichlorotitanium.
What is the SMILES notation for bis(dibutylazanide);dichlorotitanium?
The canonical SMILES for bis(dibutylazanide);dichlorotitanium is CCCC[N-]CCCC.CCCC[N-]CCCC.Cl[Ti]Cl.
What is the InChIKey of bis(dibutylazanide);dichlorotitanium?
The InChIKey is HSGSIQJMKWPAGZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H18N.2ClH.Ti/c2*1-3-5-7-9-8-6-4-2;;;/h2*3-8H2,1-2H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of bis(dibutylazanide);dichlorotitanium?
bis(dibutylazanide);dichlorotitanium has a molecular weight of 375.25 g/mol, XLogP of 7.30, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibutylazanide);dichlorotitanium is sourced from PubChem (CID 87309711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).