N-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium

C10H11NY-2 — CID 164767448

IUPACN-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium
SMILES[H]/[C-]=N/c1[c-]c(C(C)C)ccc1.[Y]
InChIInChI=1S/C10H11N.Y/c1-8(2)9-5-4-6-10(7-9)11-3;/h3-6,8H,1-2H3;/q-2;
InChIKeyQJHGHLMWMZRYDZ-UHFFFAOYSA-N
MW234.11 g/mol
LogP2.82
Rot. Bonds2

About N-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium

N-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium (PubChem CID 164767448) has the molecular formula C10H11NY-2 and a molecular weight of 234.11 g/mol. Its IUPAC name is N-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium.

Molecular Properties

Compound NameN-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium
PubChem CID164767448
Molecular FormulaC10H11NY-2
Molecular Weight234.11 g/mol
Exact Mass234.00
IUPAC NameN-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium
SMILES[H]/[C-]=N/c1[c-]c(C(C)C)ccc1.[Y]
InChIInChI=1S/C10H11N.Y/c1-8(2)9-5-4-6-10(7-9)11-3;/h3-6,8H,1-2H3;/q-2;
InChIKeyQJHGHLMWMZRYDZ-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.11
LogP ≤ 52.82
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

1,3-di(propan-2-yl)benzene-2-ide
CID 102286386
2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum
CID 157096140
propan-2-ylbenzene;yttrium
CID 58365433
cumene;ruthenium(2+);dichloride
CID 23094461
cumene
CID 161227923
benzene;cumene
CID 157215889
propan-2-ylcyclodecapentaene
CID 123508933
chloromethane;cumene;ethane
CID 160847695
1,3-dichloro-2-propan-2-ylbenzene
CID 14028117
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium?
The IUPAC name of N-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium (CID 164767448) is N-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium.
What is the SMILES notation for N-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium?
The canonical SMILES for N-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium is [H]/[C-]=N/c1[c-]c(C(C)C)ccc1.[Y].
What is the InChIKey of N-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium?
The InChIKey is QJHGHLMWMZRYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.Y/c1-8(2)9-5-4-6-10(7-9)11-3;/h3-6,8H,1-2H3;/q-2;.
What are the key properties of N-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium?
N-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium has a molecular weight of 234.11 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium is sourced from PubChem (CID 164767448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).