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

C14H28Cl2NTi- — CID 23229327

IUPACcyclopentane;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide
SMILESC1CCCC1.CC(C)(C)C(=[N-])C(C)(C)C.Cl[Ti]Cl
InChIInChI=1S/C9H18N.C5H10.2ClH.Ti/c1-8(2,3)7(10)9(4,5)6;1-2-4-5-3-1;;;/h1-6H3;1-5H2;2*1H;/q-1;;;;+2/p-2
InChIKeyTYAUSQPBGWSJFE-UHFFFAOYSA-L
MW329.16 g/mol
LogP6.42
Rot. Bonds

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

cyclopentane;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide (PubChem CID 23229327) has the molecular formula C14H28Cl2NTi- and a molecular weight of 329.16 g/mol. Its IUPAC name is cyclopentane;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide.

Molecular Properties

Compound Namecyclopentane;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide
PubChem CID23229327
Molecular FormulaC14H28Cl2NTi-
Molecular Weight329.16 g/mol
Exact Mass328.11
IUPAC Namecyclopentane;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide
SMILESC1CCCC1.CC(C)(C)C(=[N-])C(C)(C)C.Cl[Ti]Cl
InChIInChI=1S/C9H18N.C5H10.2ClH.Ti/c1-8(2,3)7(10)9(4,5)6;1-2-4-5-3-1;;;/h1-6H3;1-5H2;2*1H;/q-1;;;;+2/p-2
InChIKeyTYAUSQPBGWSJFE-UHFFFAOYSA-L
XLogP6.42
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.16
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide
CID 153465289
CID 10958282
CID 10958282

Frequently Asked Questions

What is the IUPAC name of cyclopentane;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide?
The IUPAC name of cyclopentane;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide (CID 23229327) is cyclopentane;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide.
What is the SMILES notation for cyclopentane;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide?
The canonical SMILES for cyclopentane;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide is C1CCCC1.CC(C)(C)C(=[N-])C(C)(C)C.Cl[Ti]Cl.
What is the InChIKey of cyclopentane;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide?
The InChIKey is TYAUSQPBGWSJFE-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H18N.C5H10.2ClH.Ti/c1-8(2,3)7(10)9(4,5)6;1-2-4-5-3-1;;;/h1-6H3;1-5H2;2*1H;/q-1;;;;+2/p-2.
What are the key properties of cyclopentane;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide?
cyclopentane;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide has a molecular weight of 329.16 g/mol, XLogP of 6.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide is sourced from PubChem (CID 23229327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).