carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide

C10H21Cl2NTi-2 — CID 153465289

IUPACcarbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide
SMILESCC(C)(C)C(=[N-])C(C)(C)C.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C9H18N.CH3.2ClH.Ti/c1-8(2,3)7(10)9(4,5)6;;;;/h1-6H3;1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyXMDOQQYHKUNDBU-UHFFFAOYSA-L
MW274.06 g/mol
LogP4.92
Rot. Bonds

About carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide

carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide (PubChem CID 153465289) has the molecular formula C10H21Cl2NTi-2 and a molecular weight of 274.06 g/mol. Its IUPAC name is carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide.

Molecular Properties

Compound Namecarbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide
PubChem CID153465289
Molecular FormulaC10H21Cl2NTi-2
Molecular Weight274.06 g/mol
Exact Mass273.05
IUPAC Namecarbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide
SMILESCC(C)(C)C(=[N-])C(C)(C)C.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C9H18N.CH3.2ClH.Ti/c1-8(2,3)7(10)9(4,5)6;;;;/h1-6H3;1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyXMDOQQYHKUNDBU-UHFFFAOYSA-L
XLogP4.92
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Lithium di-t-butylmethyleneamide
CID 101048200
(2,2,4,4-Tetramethylpentan-3-ylideneamino) thiohypochlorite
CID 86215016
N-iodo-2,2,4,4-tetramethylpentan-3-imine
CID 154519805
2,2,4,4-Tetramethylpentan-3-imine;titanium(4+);tetrachloride
CID 174868118
CID 10958282
CID 10958282
Cyclopentane;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide
CID 23229327
2,2,4,4-Tetramethylpentan-3-ylideneazanide
CID 101447339
CID 101770485
CID 101770485
Tris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride
CID 102217200

Frequently Asked Questions

What is the IUPAC name of carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide?
The IUPAC name of carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide (CID 153465289) is carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide.
What is the SMILES notation for carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide?
The canonical SMILES for carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide is CC(C)(C)C(=[N-])C(C)(C)C.Cl[Ti]Cl.[CH3-].
What is the InChIKey of carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide?
The InChIKey is XMDOQQYHKUNDBU-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H18N.CH3.2ClH.Ti/c1-8(2,3)7(10)9(4,5)6;;;;/h1-6H3;1H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide?
carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide has a molecular weight of 274.06 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide is sourced from PubChem (CID 153465289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).