lithium N,N-dimethyl-5H-naphthalen-5-id-1-amine

C12H12LiN — CID 134991701

IUPAClithium N,N-dimethyl-5H-naphthalen-5-id-1-amine
SMILESCN(C)c1cccc2[c-]cccc12.[Li+]
InChIInChI=1S/C12H12N.Li/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;/h3-5,7-9H,1-2H3;/q-1;+1
InChIKeyDFABLUXHBFTAOT-UHFFFAOYSA-N
MW177.18 g/mol
LogP-0.29
Rot. Bonds1

About lithium N,N-dimethyl-5H-naphthalen-5-id-1-amine

lithium N,N-dimethyl-5H-naphthalen-5-id-1-amine (PubChem CID 134991701) has the molecular formula C12H12LiN and a molecular weight of 177.18 g/mol. Its IUPAC name is lithium N,N-dimethyl-5H-naphthalen-5-id-1-amine.

Molecular Properties

Compound Namelithium N,N-dimethyl-5H-naphthalen-5-id-1-amine
PubChem CID134991701
Molecular FormulaC12H12LiN
Molecular Weight177.18 g/mol
Exact Mass177.11
IUPAC Namelithium N,N-dimethyl-5H-naphthalen-5-id-1-amine
SMILESCN(C)c1cccc2[c-]cccc12.[Li+]
InChIInChI=1S/C12H12N.Li/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;/h3-5,7-9H,1-2H3;/q-1;+1
InChIKeyDFABLUXHBFTAOT-UHFFFAOYSA-N
XLogP-0.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 5-0.29
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 N,N-dimethyl-5H-naphthalen-5-id-1-amine?
The IUPAC name of lithium N,N-dimethyl-5H-naphthalen-5-id-1-amine (CID 134991701) is lithium N,N-dimethyl-5H-naphthalen-5-id-1-amine.
What is the SMILES notation for lithium N,N-dimethyl-5H-naphthalen-5-id-1-amine?
The canonical SMILES for lithium N,N-dimethyl-5H-naphthalen-5-id-1-amine is CN(C)c1cccc2[c-]cccc12.[Li+].
What is the InChIKey of lithium N,N-dimethyl-5H-naphthalen-5-id-1-amine?
The InChIKey is DFABLUXHBFTAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N.Li/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;/h3-5,7-9H,1-2H3;/q-1;+1.
What are the key properties of lithium N,N-dimethyl-5H-naphthalen-5-id-1-amine?
lithium N,N-dimethyl-5H-naphthalen-5-id-1-amine has a molecular weight of 177.18 g/mol, XLogP of -0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-dimethyl-5H-naphthalen-5-id-1-amine is sourced from PubChem (CID 134991701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).