N-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium

C7H11NY-2 — CID 161088422

IUPACN-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium
SMILES[H]/[C-]=N/C(=[C-]/[H])C(C)(C)C.[Y]
InChIInChI=1S/C7H11N.Y/c1-6(8-5)7(2,3)4;/h1,5H,2-4H3;/q-2;
InChIKeyIILIUDDWLBCQJS-UHFFFAOYSA-N
MW198.08 g/mol
LogP1.92
Rot. Bonds1

About N-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium

N-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium (PubChem CID 161088422) has the molecular formula C7H11NY-2 and a molecular weight of 198.08 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium
PubChem CID161088422
Molecular FormulaC7H11NY-2
Molecular Weight198.08 g/mol
Exact Mass198.00
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium
SMILES[H]/[C-]=N/C(=[C-]/[H])C(C)(C)C.[Y]
InChIInChI=1S/C7H11N.Y/c1-6(8-5)7(2,3)4;/h1,5H,2-4H3;/q-2;
InChIKeyIILIUDDWLBCQJS-UHFFFAOYSA-N
XLogP1.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.08
LogP ≤ 51.92
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-(3-methylbut-1-en-2-yl)methanimine;yttrium
CID 59037959
N-(3,3-dimethylbut-1-en-2-yl)methanimine
CID 123979209

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium (CID 161088422) is N-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium is [H]/[C-]=N/C(=[C-]/[H])C(C)(C)C.[Y].
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium?
The InChIKey is IILIUDDWLBCQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.Y/c1-6(8-5)7(2,3)4;/h1,5H,2-4H3;/q-2;.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium?
N-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium has a molecular weight of 198.08 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium is sourced from PubChem (CID 161088422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).