lithium N,N-dimethylaniline

C8H10LiN — CID 12620685

IUPAClithium N,N-dimethylaniline
SMILESCN(C)c1[c-]cccc1.[Li+]
InChIInChI=1S/C8H10N.Li/c1-9(2)8-6-4-3-5-7-8;/h3-6H,1-2H3;/q-1;+1
InChIKeyPTSNCVPIOMOUES-UHFFFAOYSA-N
MW127.12 g/mol
LogP-1.44
Rot. Bonds1

About lithium N,N-dimethylaniline

lithium N,N-dimethylaniline (PubChem CID 12620685) has the molecular formula C8H10LiN and a molecular weight of 127.12 g/mol. Its IUPAC name is lithium N,N-dimethylaniline.

Molecular Properties

Compound Namelithium N,N-dimethylaniline
PubChem CID12620685
Molecular FormulaC8H10LiN
Molecular Weight127.12 g/mol
Exact Mass127.10
IUPAC Namelithium N,N-dimethylaniline
SMILESCN(C)c1[c-]cccc1.[Li+]
InChIInChI=1S/C8H10N.Li/c1-9(2)8-6-4-3-5-7-8;/h3-6H,1-2H3;/q-1;+1
InChIKeyPTSNCVPIOMOUES-UHFFFAOYSA-N
XLogP-1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 5-1.44
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 lithium N,N-dimethylaniline?
The IUPAC name of lithium N,N-dimethylaniline (CID 12620685) is lithium N,N-dimethylaniline.
What is the SMILES notation for lithium N,N-dimethylaniline?
The canonical SMILES for lithium N,N-dimethylaniline is CN(C)c1[c-]cccc1.[Li+].
What is the InChIKey of lithium N,N-dimethylaniline?
The InChIKey is PTSNCVPIOMOUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.Li/c1-9(2)8-6-4-3-5-7-8;/h3-6H,1-2H3;/q-1;+1.
What are the key properties of lithium N,N-dimethylaniline?
lithium N,N-dimethylaniline has a molecular weight of 127.12 g/mol, XLogP of -1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-dimethylaniline is sourced from PubChem (CID 12620685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).