lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide

C8H13LiN2 — CID 134905420

IUPAClithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide
SMILESCN(C)[N-]C1=CCCC=C1.[Li+]
InChIInChI=1S/C8H13N2.Li/c1-10(2)9-8-6-4-3-5-7-8;/h4,6-7H,3,5H2,1-2H3;/q-1;+1
InChIKeyIKHLUVCKOXWOSN-UHFFFAOYSA-N
MW144.15 g/mol
LogP-0.93
Rot. Bonds2

About lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide

lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide (PubChem CID 134905420) has the molecular formula C8H13LiN2 and a molecular weight of 144.15 g/mol. Its IUPAC name is lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide.

Molecular Properties

Compound Namelithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide
PubChem CID134905420
Molecular FormulaC8H13LiN2
Molecular Weight144.15 g/mol
Exact Mass144.12
IUPAC Namelithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide
SMILESCN(C)[N-]C1=CCCC=C1.[Li+]
InChIInChI=1S/C8H13N2.Li/c1-10(2)9-8-6-4-3-5-7-8;/h4,6-7H,3,5H2,1-2H3;/q-1;+1
InChIKeyIKHLUVCKOXWOSN-UHFFFAOYSA-N
XLogP-0.93
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide 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 1,1,2-trimethyl-2-phenylhydrazine
CID 134975996
Lithium 1,1,2-trimethyl-2-phenylhydrazine
CID 138984283
N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 21647338
N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine
CID 88991335
(3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine
CID 89320182
1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine
CID 134257846
N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine
CID 143554337
N,N-dimethylcyclohexa-1,5-dien-1-amine;ethane
CID 145201292
N-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
CID 146330691
1-[(3Z)-hexa-1,3-dien-2-yl]-1,2,2-trimethylhydrazine
CID 146561432
N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 149050398
Cyclohexa-1,5-dien-1-yl(trimethyl)azanium
CID 153068881

Frequently Asked Questions

What is the IUPAC name of lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide?
The IUPAC name of lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide (CID 134905420) is lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide.
What is the SMILES notation for lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide?
The canonical SMILES for lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide is CN(C)[N-]C1=CCCC=C1.[Li+].
What is the InChIKey of lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide?
The InChIKey is IKHLUVCKOXWOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2.Li/c1-10(2)9-8-6-4-3-5-7-8;/h4,6-7H,3,5H2,1-2H3;/q-1;+1.
What are the key properties of lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide?
lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide has a molecular weight of 144.15 g/mol, XLogP of -0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide is sourced from PubChem (CID 134905420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).