lithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine

C11H17LiN2-2 — CID 176707625

IUPAClithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine
SMILESCc1c[c-]c(C)nc1.[CH2-]CNC[CH2-].[Li+]
InChIInChI=1S/C7H8N.C4H9N.Li/c1-6-3-4-7(2)8-5-6;1-3-5-4-2;/h3,5H,1-2H3;5H,1-4H2;/q-1;-2;+1
InChIKeySXLLEYFPULRFNI-UHFFFAOYSA-N
MW184.21 g/mol
LogP-1.25
Rot. Bonds2

About lithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine

lithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine (PubChem CID 176707625) has the molecular formula C11H17LiN2-2 and a molecular weight of 184.21 g/mol. Its IUPAC name is lithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine.

Molecular Properties

Compound Namelithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine
PubChem CID176707625
Molecular FormulaC11H17LiN2-2
Molecular Weight184.21 g/mol
Exact Mass184.16
IUPAC Namelithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine
SMILESCc1c[c-]c(C)nc1.[CH2-]CNC[CH2-].[Li+]
InChIInChI=1S/C7H8N.C4H9N.Li/c1-6-3-4-7(2)8-5-6;1-3-5-4-2;/h3,5H,1-2H3;5H,1-4H2;/q-1;-2;+1
InChIKeySXLLEYFPULRFNI-UHFFFAOYSA-N
XLogP-1.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-(3,5-Dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)piperazin-1-ium
CID 20672907
lithium;(2R)-N-ethylpropan-2-amine;5-propan-2-yl-3H-pyridin-3-ide
CID 153622777

Frequently Asked Questions

What is the IUPAC name of lithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine?
The IUPAC name of lithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine (CID 176707625) is lithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine.
What is the SMILES notation for lithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine?
The canonical SMILES for lithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine is Cc1c[c-]c(C)nc1.[CH2-]CNC[CH2-].[Li+].
What is the InChIKey of lithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine?
The InChIKey is SXLLEYFPULRFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.C4H9N.Li/c1-6-3-4-7(2)8-5-6;1-3-5-4-2;/h3,5H,1-2H3;5H,1-4H2;/q-1;-2;+1.
What are the key properties of lithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine?
lithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine has a molecular weight of 184.21 g/mol, XLogP of -1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2,5-dimethyl-3H-pyridin-3-ide;N-ethylethanamine is sourced from PubChem (CID 176707625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).