lithium;benzene;N,N-dimethylmethanamine

C9H14LiN — CID 21399667

IUPAClithium;benzene;N,N-dimethylmethanamine
SMILESCN(C)C.[Li+].[c-]1ccccc1
InChIInChI=1S/C6H5.C3H9N.Li/c1-2-4-6-5-3-1;1-4(2)3;/h1-5H;1-3H3;/q-1;;+1
InChIKeyAFVKXXQFEPNAMG-UHFFFAOYSA-N
MW143.16 g/mol
LogP-1.33
Rot. Bonds

About lithium;benzene;N,N-dimethylmethanamine

lithium;benzene;N,N-dimethylmethanamine (PubChem CID 21399667) has the molecular formula C9H14LiN and a molecular weight of 143.16 g/mol. Its IUPAC name is lithium;benzene;N,N-dimethylmethanamine.

Molecular Properties

Compound Namelithium;benzene;N,N-dimethylmethanamine
PubChem CID21399667
Molecular FormulaC9H14LiN
Molecular Weight143.16 g/mol
Exact Mass143.13
IUPAC Namelithium;benzene;N,N-dimethylmethanamine
SMILESCN(C)C.[Li+].[c-]1ccccc1
InChIInChI=1S/C6H5.C3H9N.Li/c1-2-4-6-5-3-1;1-4(2)3;/h1-5H;1-3H3;/q-1;;+1
InChIKeyAFVKXXQFEPNAMG-UHFFFAOYSA-N
XLogP-1.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 5-1.33
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;benzene;N,N-dimethylmethanamine?
The IUPAC name of lithium;benzene;N,N-dimethylmethanamine (CID 21399667) is lithium;benzene;N,N-dimethylmethanamine.
What is the SMILES notation for lithium;benzene;N,N-dimethylmethanamine?
The canonical SMILES for lithium;benzene;N,N-dimethylmethanamine is CN(C)C.[Li+].[c-]1ccccc1.
What is the InChIKey of lithium;benzene;N,N-dimethylmethanamine?
The InChIKey is AFVKXXQFEPNAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C3H9N.Li/c1-2-4-6-5-3-1;1-4(2)3;/h1-5H;1-3H3;/q-1;;+1.
What are the key properties of lithium;benzene;N,N-dimethylmethanamine?
lithium;benzene;N,N-dimethylmethanamine has a molecular weight of 143.16 g/mol, XLogP of -1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;benzene;N,N-dimethylmethanamine is sourced from PubChem (CID 21399667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).