lithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine

C14H17LiN2 — CID 14437586

IUPAClithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine
SMILESCN(C)c1cc[c-]c2cccc(N(C)C)c12.[Li+]
InChIInChI=1S/C14H17N2.Li/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4;/h5-7,9-10H,1-4H3;/q-1;+1
InChIKeyUAFOWURDGVYPJI-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.22
Rot. Bonds2

About lithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine

lithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine (PubChem CID 14437586) has the molecular formula C14H17LiN2 and a molecular weight of 220.24 g/mol. Its IUPAC name is lithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine.

Molecular Properties

Compound Namelithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine
PubChem CID14437586
Molecular FormulaC14H17LiN2
Molecular Weight220.24 g/mol
Exact Mass220.16
IUPAC Namelithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine
SMILESCN(C)c1cc[c-]c2cccc(N(C)C)c12.[Li+]
InChIInChI=1S/C14H17N2.Li/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4;/h5-7,9-10H,1-4H3;/q-1;+1
InChIKeyUAFOWURDGVYPJI-UHFFFAOYSA-N
XLogP-0.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine 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-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine?
The IUPAC name of lithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine (CID 14437586) is lithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine.
What is the SMILES notation for lithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine?
The canonical SMILES for lithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine is CN(C)c1cc[c-]c2cccc(N(C)C)c12.[Li+].
What is the InChIKey of lithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine?
The InChIKey is UAFOWURDGVYPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2.Li/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4;/h5-7,9-10H,1-4H3;/q-1;+1.
What are the key properties of lithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine?
lithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine has a molecular weight of 220.24 g/mol, XLogP of -0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-N,1-N,8-N,8-N-tetramethyl-4H-naphthalen-4-ide-1,8-diamine is sourced from PubChem (CID 14437586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).