N-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium

C15H19NY-2 — CID 59952639

IUPACN-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium
SMILESC/[C-]=N/C(=[C-]/C)c1c(C)c(C)cc(C)c1C.[Y]
InChIInChI=1S/C15H19N.Y/c1-7-14(16-8-2)15-12(5)10(3)9-11(4)13(15)6;/h9H,1-6H3;/q-2;
InChIKeyWLBGJIVWJUYZDK-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.05
Rot. Bonds2

About N-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium

N-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium (PubChem CID 59952639) has the molecular formula C15H19NY-2 and a molecular weight of 302.23 g/mol. Its IUPAC name is N-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium.

Molecular Properties

Compound NameN-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium
PubChem CID59952639
Molecular FormulaC15H19NY-2
Molecular Weight302.23 g/mol
Exact Mass302.06
IUPAC NameN-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium
SMILESC/[C-]=N/C(=[C-]/C)c1c(C)c(C)cc(C)c1C.[Y]
InChIInChI=1S/C15H19N.Y/c1-7-14(16-8-2)15-12(5)10(3)9-11(4)13(15)6;/h9H,1-6H3;/q-2;
InChIKeyWLBGJIVWJUYZDK-UHFFFAOYSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.05
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium?
The IUPAC name of N-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium (CID 59952639) is N-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium.
What is the SMILES notation for N-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium?
The canonical SMILES for N-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium is C/[C-]=N/C(=[C-]/C)c1c(C)c(C)cc(C)c1C.[Y].
What is the InChIKey of N-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium?
The InChIKey is WLBGJIVWJUYZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N.Y/c1-7-14(16-8-2)15-12(5)10(3)9-11(4)13(15)6;/h9H,1-6H3;/q-2;.
What are the key properties of N-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium?
N-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium has a molecular weight of 302.23 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3,5,6-tetramethylphenyl)prop-1-enyl]ethanimine;yttrium is sourced from PubChem (CID 59952639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).