trilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide

C14H20Li3N — CID 15966435

IUPACtrilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide
SMILES[CH2-]C(C[N-]Cc1c[c-]ccc1)C(C)(C)C.[Li+].[Li+].[Li+]
InChIInChI=1S/C14H20N.3Li/c1-12(14(2,3)4)10-15-11-13-8-6-5-7-9-13;;;/h5-6,8-9,12H,1,10-11H2,2-4H3;;;/q-3;3*+1
InChIKeyNZVJJUOAOHTBQH-UHFFFAOYSA-N
MW223.14 g/mol
LogP-5.13
Rot. Bonds4

About trilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide

trilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide (PubChem CID 15966435) has the molecular formula C14H20Li3N and a molecular weight of 223.14 g/mol. Its IUPAC name is trilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide.

Molecular Properties

Compound Nametrilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide
PubChem CID15966435
Molecular FormulaC14H20Li3N
Molecular Weight223.14 g/mol
Exact Mass223.21
IUPAC Nametrilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide
SMILES[CH2-]C(C[N-]Cc1c[c-]ccc1)C(C)(C)C.[Li+].[Li+].[Li+]
InChIInChI=1S/C14H20N.3Li/c1-12(14(2,3)4)10-15-11-13-8-6-5-7-9-13;;;/h5-6,8-9,12H,1,10-11H2,2-4H3;;;/q-3;3*+1
InChIKeyNZVJJUOAOHTBQH-UHFFFAOYSA-N
XLogP-5.13
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 5-5.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 trilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide?
The IUPAC name of trilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide (CID 15966435) is trilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide.
What is the SMILES notation for trilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide?
The canonical SMILES for trilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide is [CH2-]C(C[N-]Cc1c[c-]ccc1)C(C)(C)C.[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide?
The InChIKey is NZVJJUOAOHTBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N.3Li/c1-12(14(2,3)4)10-15-11-13-8-6-5-7-9-13;;;/h5-6,8-9,12H,1,10-11H2,2-4H3;;;/q-3;3*+1.
What are the key properties of trilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide?
trilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide has a molecular weight of 223.14 g/mol, XLogP of -5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;(2-methanidyl-3,3-dimethylbutyl)-(phenylmethyl)azanide is sourced from PubChem (CID 15966435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).