lithium N-tert-butyl-2-methylpropan-1-imine

C8H16LiN — CID 135078426

IUPAClithium N-tert-butyl-2-methylpropan-1-imine
SMILESCC(C)/[C-]=N/C(C)(C)C.[Li+]
InChIInChI=1S/C8H16N.Li/c1-7(2)6-9-8(3,4)5;/h7H,1-5H3;/q-1;+1
InChIKeyWFQGLRDIQUGNPZ-UHFFFAOYSA-N
MW133.16 g/mol
LogP-0.61
Rot. Bonds1

About lithium N-tert-butyl-2-methylpropan-1-imine

lithium N-tert-butyl-2-methylpropan-1-imine (PubChem CID 135078426) has the molecular formula C8H16LiN and a molecular weight of 133.16 g/mol. Its IUPAC name is lithium N-tert-butyl-2-methylpropan-1-imine.

Molecular Properties

Compound Namelithium N-tert-butyl-2-methylpropan-1-imine
PubChem CID135078426
Molecular FormulaC8H16LiN
Molecular Weight133.16 g/mol
Exact Mass133.14
IUPAC Namelithium N-tert-butyl-2-methylpropan-1-imine
SMILESCC(C)/[C-]=N/C(C)(C)C.[Li+]
InChIInChI=1S/C8H16N.Li/c1-7(2)6-9-8(3,4)5;/h7H,1-5H3;/q-1;+1
InChIKeyWFQGLRDIQUGNPZ-UHFFFAOYSA-N
XLogP-0.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium)
CID 159779282
N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium
CID 155657078
N-but-2-en-2-yl-2-methylpropan-1-imine;yttrium
CID 59148093
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine
CID 102263378
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-N-methylpropan-2-amine
CID 126709395
2-methanidyl-2,3-dimethylpentane;yttrium
CID 59936571
2,2-difluoro-3,3,5-trimethylhexane
CID 157101108
1-(trifluoromethylsulfonyl)ethanol
CID 126732557
2-chloro-2-fluoro-3-methylbutane
CID 88897527
(2S)-3-fluoro-3-methylbutan-2-amine
CID 83814959
2-fluoro-2-propan-2-ylsulfonylpentane
CID 161159167
2-bromo-N-tert-butylpropan-1-imine
CID 12521296

Frequently Asked Questions

What is the IUPAC name of lithium N-tert-butyl-2-methylpropan-1-imine?
The IUPAC name of lithium N-tert-butyl-2-methylpropan-1-imine (CID 135078426) is lithium N-tert-butyl-2-methylpropan-1-imine.
What is the SMILES notation for lithium N-tert-butyl-2-methylpropan-1-imine?
The canonical SMILES for lithium N-tert-butyl-2-methylpropan-1-imine is CC(C)/[C-]=N/C(C)(C)C.[Li+].
What is the InChIKey of lithium N-tert-butyl-2-methylpropan-1-imine?
The InChIKey is WFQGLRDIQUGNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N.Li/c1-7(2)6-9-8(3,4)5;/h7H,1-5H3;/q-1;+1.
What are the key properties of lithium N-tert-butyl-2-methylpropan-1-imine?
lithium N-tert-butyl-2-methylpropan-1-imine has a molecular weight of 133.16 g/mol, XLogP of -0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-tert-butyl-2-methylpropan-1-imine is sourced from PubChem (CID 135078426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).