2-methanidyl-N,N-dimethylaniline;titanium(3+)

C9H12NTi+2 — CID 22399653

IUPAC2-methanidyl-N,N-dimethylaniline;titanium(3+)
SMILES[CH2-]c1ccccc1N(C)C.[Ti+3]
InChIInChI=1S/C9H12N.Ti/c1-8-6-4-5-7-9(8)10(2)3;/h4-7H,1H2,2-3H3;/q-1;+3
InChIKeyIJQOFSKVQGKVKQ-UHFFFAOYSA-N
MW182.07 g/mol
LogP1.93
Rot. Bonds1

About 2-methanidyl-N,N-dimethylaniline;titanium(3+)

2-methanidyl-N,N-dimethylaniline;titanium(3+) (PubChem CID 22399653) has the molecular formula C9H12NTi+2 and a molecular weight of 182.07 g/mol. Its IUPAC name is 2-methanidyl-N,N-dimethylaniline;titanium(3+).

Molecular Properties

Compound Name2-methanidyl-N,N-dimethylaniline;titanium(3+)
PubChem CID22399653
Molecular FormulaC9H12NTi+2
Molecular Weight182.07 g/mol
Exact Mass182.04
IUPAC Name2-methanidyl-N,N-dimethylaniline;titanium(3+)
SMILES[CH2-]c1ccccc1N(C)C.[Ti+3]
InChIInChI=1S/C9H12N.Ti/c1-8-6-4-5-7-9(8)10(2)3;/h4-7H,1H2,2-3H3;/q-1;+3
InChIKeyIJQOFSKVQGKVKQ-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.07
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-N,N-dimethylaniline;titanium(3+)?
The IUPAC name of 2-methanidyl-N,N-dimethylaniline;titanium(3+) (CID 22399653) is 2-methanidyl-N,N-dimethylaniline;titanium(3+).
What is the SMILES notation for 2-methanidyl-N,N-dimethylaniline;titanium(3+)?
The canonical SMILES for 2-methanidyl-N,N-dimethylaniline;titanium(3+) is [CH2-]c1ccccc1N(C)C.[Ti+3].
What is the InChIKey of 2-methanidyl-N,N-dimethylaniline;titanium(3+)?
The InChIKey is IJQOFSKVQGKVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.Ti/c1-8-6-4-5-7-9(8)10(2)3;/h4-7H,1H2,2-3H3;/q-1;+3.
What are the key properties of 2-methanidyl-N,N-dimethylaniline;titanium(3+)?
2-methanidyl-N,N-dimethylaniline;titanium(3+) has a molecular weight of 182.07 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-N,N-dimethylaniline;titanium(3+) is sourced from PubChem (CID 22399653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).