dilithium;bis[(1R)-1-phenylethyl]azanide;bromide

C16H18BrLi2N — CID 135082056

IUPACdilithium;bis[(1R)-1-phenylethyl]azanide;bromide
SMILESC[C@@H]([N-][C@H](C)c1ccccc1)c1ccccc1.[Br-].[Li+].[Li+]
InChIInChI=1S/C16H18N.BrH.2Li/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16;;;/h3-14H,1-2H3;1H;;/q-1;;2*+1/p-1/t13-,14-;;;/m1.../s1
InChIKeyWGZHJEYFECVGGZ-IDHVVMMVSA-M
MW318.11 g/mol
LogP-4.11
Rot. Bonds4

About dilithium;bis[(1R)-1-phenylethyl]azanide;bromide

dilithium;bis[(1R)-1-phenylethyl]azanide;bromide (PubChem CID 135082056) has the molecular formula C16H18BrLi2N and a molecular weight of 318.11 g/mol. Its IUPAC name is dilithium;bis[(1R)-1-phenylethyl]azanide;bromide.

Molecular Properties

Compound Namedilithium;bis[(1R)-1-phenylethyl]azanide;bromide
PubChem CID135082056
Molecular FormulaC16H18BrLi2N
Molecular Weight318.11 g/mol
Exact Mass317.09
IUPAC Namedilithium;bis[(1R)-1-phenylethyl]azanide;bromide
SMILESC[C@@H]([N-][C@H](C)c1ccccc1)c1ccccc1.[Br-].[Li+].[Li+]
InChIInChI=1S/C16H18N.BrH.2Li/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16;;;/h3-14H,1-2H3;1H;;/q-1;;2*+1/p-1/t13-,14-;;;/m1.../s1
InChIKeyWGZHJEYFECVGGZ-IDHVVMMVSA-M
XLogP-4.11
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 5-4.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze dilithium;bis[(1R)-1-phenylethyl]azanide;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide
CID 102301951
propan-2-ylcyclodecapentaene
CID 123508933
benzene;cumene
CID 157215889
cumene
CID 161227923
CID 174377533
CID 174377533
cumene;ethane
CID 54306132
cumene;2-methylpropane
CID 90828344
cumene;hydrogen peroxide
CID 21225480
cumene;zinc
CID 159490121
bis(trimethylsilyl)azanide;lutetium;bis(1-phenylethyl-[phenyl(1-phenylethylazanidyl)methyl]azanide)
CID 135002385
cumene;methanethiol
CID 170640582
CID 160506105
CID 160506105

Frequently Asked Questions

What is the IUPAC name of dilithium;bis[(1R)-1-phenylethyl]azanide;bromide?
The IUPAC name of dilithium;bis[(1R)-1-phenylethyl]azanide;bromide (CID 135082056) is dilithium;bis[(1R)-1-phenylethyl]azanide;bromide.
What is the SMILES notation for dilithium;bis[(1R)-1-phenylethyl]azanide;bromide?
The canonical SMILES for dilithium;bis[(1R)-1-phenylethyl]azanide;bromide is C[C@@H]([N-][C@H](C)c1ccccc1)c1ccccc1.[Br-].[Li+].[Li+].
What is the InChIKey of dilithium;bis[(1R)-1-phenylethyl]azanide;bromide?
The InChIKey is WGZHJEYFECVGGZ-IDHVVMMVSA-M. The full InChI is InChI=1S/C16H18N.BrH.2Li/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16;;;/h3-14H,1-2H3;1H;;/q-1;;2*+1/p-1/t13-,14-;;;/m1.../s1.
What are the key properties of dilithium;bis[(1R)-1-phenylethyl]azanide;bromide?
dilithium;bis[(1R)-1-phenylethyl]azanide;bromide has a molecular weight of 318.11 g/mol, XLogP of -4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;bis[(1R)-1-phenylethyl]azanide;bromide is sourced from PubChem (CID 135082056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).