CID 10958282

C14H23Cl2NTi- — CID 10958282

IUPAC—
SMILESCC(C)(C)C(=[N-])C(C)(C)C.Cl[Ti]Cl.[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/C9H18N.C5H5.2ClH.Ti/c1-8(2,3)7(10)9(4,5)6;1-2-4-5-3-1;;;/h1-6H3;1-5H;2*1H;/q-1;;;;+2/p-2
InChIKeyXTTQHZOYJVNGFC-UHFFFAOYSA-L
MW324.12 g/mol
LogP5.49
Rot. Bonds

About CID 10958282

CID 10958282 (PubChem CID 10958282) has the molecular formula C14H23Cl2NTi- and a molecular weight of 324.12 g/mol.

Molecular Properties

Compound NameCID 10958282
PubChem CID10958282
Molecular FormulaC14H23Cl2NTi-
Molecular Weight324.12 g/mol
Exact Mass323.07
IUPAC Name—
SMILESCC(C)(C)C(=[N-])C(C)(C)C.Cl[Ti]Cl.[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/C9H18N.C5H5.2ClH.Ti/c1-8(2,3)7(10)9(4,5)6;1-2-4-5-3-1;;;/h1-6H3;1-5H;2*1H;/q-1;;;;+2/p-2
InChIKeyXTTQHZOYJVNGFC-UHFFFAOYSA-L
XLogP5.49
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.12
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 10958282 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 10958282?
The IUPAC name of CID 10958282 (CID 10958282) is not available.
What is the SMILES notation for CID 10958282?
The canonical SMILES for CID 10958282 is CC(C)(C)C(=[N-])C(C)(C)C.Cl[Ti]Cl.[CH]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 10958282?
The InChIKey is XTTQHZOYJVNGFC-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H18N.C5H5.2ClH.Ti/c1-8(2,3)7(10)9(4,5)6;1-2-4-5-3-1;;;/h1-6H3;1-5H;2*1H;/q-1;;;;+2/p-2.
What are the key properties of CID 10958282?
CID 10958282 has a molecular weight of 324.12 g/mol, XLogP of 5.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10958282 is sourced from PubChem (CID 10958282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).