N-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium)

C12H15NY3-2 — CID 59323594

IUPACN-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium)
SMILES[CH2-]/C(=N/C)c1[c-]cc(C(C)C)cc1.[Y].[Y].[Y]
InChIInChI=1S/C12H15N.3Y/c1-9(2)11-5-7-12(8-6-11)10(3)13-4;;;/h5-7,9H,3H2,1-2,4H3;;;/q-2;;;/b13-10-;;;
InChIKeyUXVJQVVZEUPDBM-RZVMNWDUSA-N
MW439.98 g/mol
LogP2.86
Rot. Bonds2

About N-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium)

N-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium) (PubChem CID 59323594) has the molecular formula C12H15NY3-2 and a molecular weight of 439.98 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium).

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium)
PubChem CID59323594
Molecular FormulaC12H15NY3-2
Molecular Weight439.98 g/mol
Exact Mass439.84
IUPAC NameN-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium)
SMILES[CH2-]/C(=N/C)c1[c-]cc(C(C)C)cc1.[Y].[Y].[Y]
InChIInChI=1S/C12H15N.3Y/c1-9(2)11-5-7-12(8-6-11)10(3)13-4;;;/h5-7,9H,3H2,1-2,4H3;;;/q-2;;;/b13-10-;;;
InChIKeyUXVJQVVZEUPDBM-RZVMNWDUSA-N
XLogP2.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.98
LogP ≤ 52.86
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

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7-Fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline
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7-Fluoro-2,3-dihydroquinoline
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2-Fluoro-2,3-dihydroquinoline
CID 152083894
3-Fluoro-5-propan-2-yl-2,3-dihydroquinoline
CID 163719688
2,2,4-Trimethyl-2,6-dihydroquinoline
CID 20760318
1,2,2,3-tetramethyl-3H-quinolin-1-ium
CID 139243633
CID 164683315
CID 164683315
2,2,4-trimethyl-3H-quinoline
CID 16695418

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium)?
The IUPAC name of N-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium) (CID 59323594) is N-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium).
What is the SMILES notation for N-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium)?
The canonical SMILES for N-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium) is [CH2-]/C(=N/C)c1[c-]cc(C(C)C)cc1.[Y].[Y].[Y].
What is the InChIKey of N-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium)?
The InChIKey is UXVJQVVZEUPDBM-RZVMNWDUSA-N. The full InChI is InChI=1S/C12H15N.3Y/c1-9(2)11-5-7-12(8-6-11)10(3)13-4;;;/h5-7,9H,3H2,1-2,4H3;;;/q-2;;;/b13-10-;;;.
What are the key properties of N-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium)?
N-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium) has a molecular weight of 439.98 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium) is sourced from PubChem (CID 59323594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).