lithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine

C11H16LiN — CID 134905341

IUPAClithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine
SMILESCc1[c-]c(CN(C)C)cc(C)c1.[Li+]
InChIInChI=1S/C11H16N.Li/c1-9-5-10(2)7-11(6-9)8-12(3)4;/h5-6H,8H2,1-4H3;/q-1;+1
InChIKeyXZKSDXQBXXJJAF-UHFFFAOYSA-N
MW169.20 g/mol
LogP-0.83
Rot. Bonds2

About lithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine

lithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine (PubChem CID 134905341) has the molecular formula C11H16LiN and a molecular weight of 169.20 g/mol. Its IUPAC name is lithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Namelithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine
PubChem CID134905341
Molecular FormulaC11H16LiN
Molecular Weight169.20 g/mol
Exact Mass169.14
IUPAC Namelithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine
SMILESCc1[c-]c(CN(C)C)cc(C)c1.[Li+]
InChIInChI=1S/C11H16N.Li/c1-9-5-10(2)7-11(6-9)8-12(3)4;/h5-6H,8H2,1-4H3;/q-1;+1
InChIKeyXZKSDXQBXXJJAF-UHFFFAOYSA-N
XLogP-0.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 5-0.83
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 lithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of lithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine (CID 134905341) is lithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for lithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for lithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine is Cc1[c-]c(CN(C)C)cc(C)c1.[Li+].
What is the InChIKey of lithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine?
The InChIKey is XZKSDXQBXXJJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N.Li/c1-9-5-10(2)7-11(6-9)8-12(3)4;/h5-6H,8H2,1-4H3;/q-1;+1.
What are the key properties of lithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine?
lithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine has a molecular weight of 169.20 g/mol, XLogP of -0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(3,5-dimethylbenzene-6-id-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 134905341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).