dilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide)

C36H72Li2MnN4 — CID 139135718

IUPACdilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide)
SMILESCC(C)(C)C(=[N-])C(C)(C)C.CC(C)(C)C(=[N-])C(C)(C)C.CC(C)(C)C(=[N-])C(C)(C)C.CC(C)(C)C(=[N-])C(C)(C)C.[Li+].[Li+].[Mn+2]
InChIInChI=1S/4C9H18N.2Li.Mn/c4*1-8(2,3)7(10)9(4,5)6;;;/h4*1-6H3;;;/q4*-1;2*+1;+2
InChIKeyOIFYDSFYKJRSMM-UHFFFAOYSA-N
MW629.82 g/mol
LogP6.36
Rot. Bonds

About dilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide)

dilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide) (PubChem CID 139135718) has the molecular formula C36H72Li2MnN4 and a molecular weight of 629.82 g/mol. Its IUPAC name is dilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide).

Molecular Properties

Compound Namedilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide)
PubChem CID139135718
Molecular FormulaC36H72Li2MnN4
Molecular Weight629.82 g/mol
Exact Mass629.55
IUPAC Namedilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide)
SMILESCC(C)(C)C(=[N-])C(C)(C)C.CC(C)(C)C(=[N-])C(C)(C)C.CC(C)(C)C(=[N-])C(C)(C)C.CC(C)(C)C(=[N-])C(C)(C)C.[Li+].[Li+].[Mn+2]
InChIInChI=1S/4C9H18N.2Li.Mn/c4*1-8(2,3)7(10)9(4,5)6;;;/h4*1-6H3;;;/q4*-1;2*+1;+2
InChIKeyOIFYDSFYKJRSMM-UHFFFAOYSA-N
XLogP6.36
TPSA89.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.82
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 139139899
(1-azanidyl-2,2-dimethylpropylidene)azanide;bis(rubidium(1+))
CID 143087197
lithium 2-methylpropan-2-ol
CID 21120036
3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium
CID 149329488
2,3-dimethylbutane-2,3-diol;hydrobromide
CID 175354079
azane;2-methylpropan-2-ol;hydrobromide
CID 173305013
(Z)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene
CID 3036401
3-diazo-2,2,4,4-tetramethylpentane
CID 638177
(E)-N,3,4,4-tetramethyl-N-propan-2-ylpent-2-en-2-amine
CID 126552469
lithium (Z)-3,4,4-trimethylpent-2-en-2-olate
CID 134874168
2,2-dimethylpropanoic acid
CID 87781698
ditert-butyl(dihydroxy)azanium
CID 163417202

Frequently Asked Questions

What is the IUPAC name of dilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide)?
The IUPAC name of dilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide) (CID 139135718) is dilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide).
What is the SMILES notation for dilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide)?
The canonical SMILES for dilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide) is CC(C)(C)C(=[N-])C(C)(C)C.CC(C)(C)C(=[N-])C(C)(C)C.CC(C)(C)C(=[N-])C(C)(C)C.CC(C)(C)C(=[N-])C(C)(C)C.[Li+].[Li+].[Mn+2].
What is the InChIKey of dilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide)?
The InChIKey is OIFYDSFYKJRSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H18N.2Li.Mn/c4*1-8(2,3)7(10)9(4,5)6;;;/h4*1-6H3;;;/q4*-1;2*+1;+2.
What are the key properties of dilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide)?
dilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide) has a molecular weight of 629.82 g/mol, XLogP of 6.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide) is sourced from PubChem (CID 139135718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).