bis(bis(2-methylpropyl)azanide);titanium(4+);dichloride

C16H36Cl2N2Ti — CID 160744441

IUPACbis(bis(2-methylpropyl)azanide);titanium(4+);dichloride
SMILESCC(C)C[N-]CC(C)C.CC(C)C[N-]CC(C)C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C8H18N.2ClH.Ti/c2*1-7(2)5-9-6-8(3)4;;;/h2*7-8H,5-6H2,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyRWABDHYGMNAJBO-UHFFFAOYSA-L
MW375.25 g/mol
LogP-0.65
Rot. Bonds8

About bis(bis(2-methylpropyl)azanide);titanium(4+);dichloride

bis(bis(2-methylpropyl)azanide);titanium(4+);dichloride (PubChem CID 160744441) has the molecular formula C16H36Cl2N2Ti and a molecular weight of 375.25 g/mol. Its IUPAC name is bis(bis(2-methylpropyl)azanide);titanium(4+);dichloride.

Molecular Properties

Compound Namebis(bis(2-methylpropyl)azanide);titanium(4+);dichloride
PubChem CID160744441
Molecular FormulaC16H36Cl2N2Ti
Molecular Weight375.25 g/mol
Exact Mass374.17
IUPAC Namebis(bis(2-methylpropyl)azanide);titanium(4+);dichloride
SMILESCC(C)C[N-]CC(C)C.CC(C)C[N-]CC(C)C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C8H18N.2ClH.Ti/c2*1-7(2)5-9-6-8(3)4;;;/h2*7-8H,5-6H2,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyRWABDHYGMNAJBO-UHFFFAOYSA-L
XLogP-0.65
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(2-methylpropyl)azanide;titanium;hydrochloride
CID 174409370
methyl(2-methylpropyl)azanide;tungsten
CID 59806957
bis(2-methylbutane);yttrium
CID 140616958
lithium 2-methylpropyl(2-oxopropanoyl)azanide
CID 143020801
2-methylbutane;yttrium
CID 157105537
2-methylpentane;titanium(4+);tetrachloride
CID 158147790
2-methylbutane;2-methylpropane;yttrium
CID 58618972
carbanide;ethyl(propan-2-ylazanidylmethyl)azanide;yttrium
CID 167346328
tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+)
CID 87312949
4-ethyl-2-methylhexane;yttrium
CID 58009185
sodium;2-methylpropan-1-ol;chloride
CID 172733950
2,4-dimethylpentane
CID 157050020

Frequently Asked Questions

What is the IUPAC name of bis(bis(2-methylpropyl)azanide);titanium(4+);dichloride?
The IUPAC name of bis(bis(2-methylpropyl)azanide);titanium(4+);dichloride (CID 160744441) is bis(bis(2-methylpropyl)azanide);titanium(4+);dichloride.
What is the SMILES notation for bis(bis(2-methylpropyl)azanide);titanium(4+);dichloride?
The canonical SMILES for bis(bis(2-methylpropyl)azanide);titanium(4+);dichloride is CC(C)C[N-]CC(C)C.CC(C)C[N-]CC(C)C.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of bis(bis(2-methylpropyl)azanide);titanium(4+);dichloride?
The InChIKey is RWABDHYGMNAJBO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H18N.2ClH.Ti/c2*1-7(2)5-9-6-8(3)4;;;/h2*7-8H,5-6H2,1-4H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(bis(2-methylpropyl)azanide);titanium(4+);dichloride?
bis(bis(2-methylpropyl)azanide);titanium(4+);dichloride has a molecular weight of 375.25 g/mol, XLogP of -0.65, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(2-methylpropyl)azanide);titanium(4+);dichloride is sourced from PubChem (CID 160744441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).