lithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine

C16H21LiN2 — CID 134871727

IUPAClithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine
SMILESCC(C)(C)/N=C/N1[CH-]C=C(c2ccccc2)CC1.[Li+]
InChIInChI=1S/C16H21N2.Li/c1-16(2,3)17-13-18-11-9-15(10-12-18)14-7-5-4-6-8-14;/h4-9,11,13H,10,12H2,1-3H3;/q-1;+1/b17-13+;
InChIKeyKYAPEDYEOXDRNO-IWSIBTJSSA-N
MW248.30 g/mol
LogP0.77
Rot. Bonds2

About lithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine

lithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine (PubChem CID 134871727) has the molecular formula C16H21LiN2 and a molecular weight of 248.30 g/mol. Its IUPAC name is lithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine.

Molecular Properties

Compound Namelithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine
PubChem CID134871727
Molecular FormulaC16H21LiN2
Molecular Weight248.30 g/mol
Exact Mass248.19
IUPAC Namelithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine
SMILESCC(C)(C)/N=C/N1[CH-]C=C(c2ccccc2)CC1.[Li+]
InChIInChI=1S/C16H21N2.Li/c1-16(2,3)17-13-18-11-9-15(10-12-18)14-7-5-4-6-8-14;/h4-9,11,13H,10,12H2,1-3H3;/q-1;+1/b17-13+;
InChIKeyKYAPEDYEOXDRNO-IWSIBTJSSA-N
XLogP0.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.77
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'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine?
The IUPAC name of lithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine (CID 134871727) is lithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine.
What is the SMILES notation for lithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine?
The canonical SMILES for lithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine is CC(C)(C)/N=C/N1[CH-]C=C(c2ccccc2)CC1.[Li+].
What is the InChIKey of lithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine?
The InChIKey is KYAPEDYEOXDRNO-IWSIBTJSSA-N. The full InChI is InChI=1S/C16H21N2.Li/c1-16(2,3)17-13-18-11-9-15(10-12-18)14-7-5-4-6-8-14;/h4-9,11,13H,10,12H2,1-3H3;/q-1;+1/b17-13+;.
What are the key properties of lithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine?
lithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine has a molecular weight of 248.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine is sourced from PubChem (CID 134871727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).