lithium;di(propan-2-yl)azanide;bis(trimethyl borate)

C12H32B2LiNO6 — CID 23709742

IUPAClithium;di(propan-2-yl)azanide;bis(trimethyl borate)
SMILESCC(C)[N-]C(C)C.COB(OC)OC.COB(OC)OC.[Li+]
InChIInChI=1S/C6H14N.2C3H9BO3.Li/c1-5(2)7-6(3)4;2*1-5-4(6-2)7-3;/h5-6H,1-4H3;2*1-3H3;/q-1;;;+1
InChIKeyQRASYCCOEWJWDQ-UHFFFAOYSA-N
MW314.95 g/mol
LogP-1.00
Rot. Bonds8

About lithium;di(propan-2-yl)azanide;bis(trimethyl borate)

lithium;di(propan-2-yl)azanide;bis(trimethyl borate) (PubChem CID 23709742) has the molecular formula C12H32B2LiNO6 and a molecular weight of 314.95 g/mol. Its IUPAC name is lithium;di(propan-2-yl)azanide;bis(trimethyl borate).

Molecular Properties

Compound Namelithium;di(propan-2-yl)azanide;bis(trimethyl borate)
PubChem CID23709742
Molecular FormulaC12H32B2LiNO6
Molecular Weight314.95 g/mol
Exact Mass315.26
IUPAC Namelithium;di(propan-2-yl)azanide;bis(trimethyl borate)
SMILESCC(C)[N-]C(C)C.COB(OC)OC.COB(OC)OC.[Li+]
InChIInChI=1S/C6H14N.2C3H9BO3.Li/c1-5(2)7-6(3)4;2*1-5-4(6-2)7-3;/h5-6H,1-4H3;2*1-3H3;/q-1;;;+1
InChIKeyQRASYCCOEWJWDQ-UHFFFAOYSA-N
XLogP-1.00
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.95
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium;di(propan-2-yl)azanide;bis(trimethyl borate) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium;di(propan-2-yl)azanide;bis(trimethyl borate)?
The IUPAC name of lithium;di(propan-2-yl)azanide;bis(trimethyl borate) (CID 23709742) is lithium;di(propan-2-yl)azanide;bis(trimethyl borate).
What is the SMILES notation for lithium;di(propan-2-yl)azanide;bis(trimethyl borate)?
The canonical SMILES for lithium;di(propan-2-yl)azanide;bis(trimethyl borate) is CC(C)[N-]C(C)C.COB(OC)OC.COB(OC)OC.[Li+].
What is the InChIKey of lithium;di(propan-2-yl)azanide;bis(trimethyl borate)?
The InChIKey is QRASYCCOEWJWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.2C3H9BO3.Li/c1-5(2)7-6(3)4;2*1-5-4(6-2)7-3;/h5-6H,1-4H3;2*1-3H3;/q-1;;;+1.
What are the key properties of lithium;di(propan-2-yl)azanide;bis(trimethyl borate)?
lithium;di(propan-2-yl)azanide;bis(trimethyl borate) has a molecular weight of 314.95 g/mol, XLogP of -1.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;di(propan-2-yl)azanide;bis(trimethyl borate) is sourced from PubChem (CID 23709742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).