dilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine

C16H17Li2N — CID 12829520

IUPACdilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine
SMILESCCN(c1[c-]cc(C)cc1)c1[c-]cc(C)cc1.[Li+].[Li+]
InChIInChI=1S/C16H17N.2Li/c1-4-17(15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16;;/h5-9,11H,4H2,1-3H3;;/q-2;2*+1
InChIKeyJXAUPDIZMMPGPG-UHFFFAOYSA-N
MW237.20 g/mol
LogP-1.93
Rot. Bonds3

About dilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine

dilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine (PubChem CID 12829520) has the molecular formula C16H17Li2N and a molecular weight of 237.20 g/mol. Its IUPAC name is dilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine.

Molecular Properties

Compound Namedilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine
PubChem CID12829520
Molecular FormulaC16H17Li2N
Molecular Weight237.20 g/mol
Exact Mass237.17
IUPAC Namedilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine
SMILESCCN(c1[c-]cc(C)cc1)c1[c-]cc(C)cc1.[Li+].[Li+]
InChIInChI=1S/C16H17N.2Li/c1-4-17(15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16;;/h5-9,11H,4H2,1-3H3;;/q-2;2*+1
InChIKeyJXAUPDIZMMPGPG-UHFFFAOYSA-N
XLogP-1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 5-1.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine 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 dilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine?
The IUPAC name of dilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine (CID 12829520) is dilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine.
What is the SMILES notation for dilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine?
The canonical SMILES for dilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine is CCN(c1[c-]cc(C)cc1)c1[c-]cc(C)cc1.[Li+].[Li+].
What is the InChIKey of dilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine?
The InChIKey is JXAUPDIZMMPGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N.2Li/c1-4-17(15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16;;/h5-9,11H,4H2,1-3H3;;/q-2;2*+1.
What are the key properties of dilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine?
dilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine has a molecular weight of 237.20 g/mol, XLogP of -1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine is sourced from PubChem (CID 12829520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).