dilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine

C15H15Li2N — CID 134891733

IUPACdilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine
SMILESCc1c[c-]c(N(C)c2[c-]cc(C)cc2)cc1.[Li+].[Li+]
InChIInChI=1S/C15H15N.2Li/c1-12-4-8-14(9-5-12)16(3)15-10-6-13(2)7-11-15;;/h4-8,10H,1-3H3;;/q-2;2*+1
InChIKeyAGFIHJFVGZGCAW-UHFFFAOYSA-N
MW223.17 g/mol
LogP-2.32
Rot. Bonds2

About dilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine

dilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine (PubChem CID 134891733) has the molecular formula C15H15Li2N and a molecular weight of 223.17 g/mol. Its IUPAC name is dilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine.

Molecular Properties

Compound Namedilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine
PubChem CID134891733
Molecular FormulaC15H15Li2N
Molecular Weight223.17 g/mol
Exact Mass223.15
IUPAC Namedilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine
SMILESCc1c[c-]c(N(C)c2[c-]cc(C)cc2)cc1.[Li+].[Li+]
InChIInChI=1S/C15H15N.2Li/c1-12-4-8-14(9-5-12)16(3)15-10-6-13(2)7-11-15;;/h4-8,10H,1-3H3;;/q-2;2*+1
InChIKeyAGFIHJFVGZGCAW-UHFFFAOYSA-N
XLogP-2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 5-2.32
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 dilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine?
The IUPAC name of dilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine (CID 134891733) is dilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine.
What is the SMILES notation for dilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine?
The canonical SMILES for dilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine is Cc1c[c-]c(N(C)c2[c-]cc(C)cc2)cc1.[Li+].[Li+].
What is the InChIKey of dilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine?
The InChIKey is AGFIHJFVGZGCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.2Li/c1-12-4-8-14(9-5-12)16(3)15-10-6-13(2)7-11-15;;/h4-8,10H,1-3H3;;/q-2;2*+1.
What are the key properties of dilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine?
dilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine has a molecular weight of 223.17 g/mol, XLogP of -2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;N,4-dimethyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine is sourced from PubChem (CID 134891733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).