lithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine

C12H19LiN2 — CID 11830389

IUPAClithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1[c-]c(CN(C)C)ccc1.[Li+]
InChIInChI=1S/C12H19N2.Li/c1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;/h5-7H,9-10H2,1-4H3;/q-1;+1
InChIKeyIXJCUGRGTFDDRM-UHFFFAOYSA-N
MW198.24 g/mol
LogP-1.39
Rot. Bonds4

About lithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine

lithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine (PubChem CID 11830389) has the molecular formula C12H19LiN2 and a molecular weight of 198.24 g/mol. Its IUPAC name is lithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Namelithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
PubChem CID11830389
Molecular FormulaC12H19LiN2
Molecular Weight198.24 g/mol
Exact Mass198.17
IUPAC Namelithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1[c-]c(CN(C)C)ccc1.[Li+]
InChIInChI=1S/C12H19N2.Li/c1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;/h5-7H,9-10H2,1-4H3;/q-1;+1
InChIKeyIXJCUGRGTFDDRM-UHFFFAOYSA-N
XLogP-1.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine 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 lithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of lithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine (CID 11830389) is lithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for lithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for lithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine is CN(C)Cc1[c-]c(CN(C)C)ccc1.[Li+].
What is the InChIKey of lithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine?
The InChIKey is IXJCUGRGTFDDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2.Li/c1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;/h5-7H,9-10H2,1-4H3;/q-1;+1.
What are the key properties of lithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine?
lithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine has a molecular weight of 198.24 g/mol, XLogP of -1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 11830389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).