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

C6H9NY-2 — CID 59037959

IUPACN-(3-methylbut-1-en-2-yl)methanimine;yttrium
SMILES[H]/[C-]=N/C(=[C-]/[H])C(C)C.[Y]
InChIInChI=1S/C6H9N.Y/c1-5(2)6(3)7-4;/h3-5H,1-2H3;/q-2;
InChIKeyJFSYTYIUGLIMJJ-UHFFFAOYSA-N
MW184.05 g/mol
LogP1.53
Rot. Bonds2

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

N-(3-methylbut-1-en-2-yl)methanimine;yttrium (PubChem CID 59037959) has the molecular formula C6H9NY-2 and a molecular weight of 184.05 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)methanimine;yttrium.

Molecular Properties

Compound NameN-(3-methylbut-1-en-2-yl)methanimine;yttrium
PubChem CID59037959
Molecular FormulaC6H9NY-2
Molecular Weight184.05 g/mol
Exact Mass183.98
IUPAC NameN-(3-methylbut-1-en-2-yl)methanimine;yttrium
SMILES[H]/[C-]=N/C(=[C-]/[H])C(C)C.[Y]
InChIInChI=1S/C6H9N.Y/c1-5(2)6(3)7-4;/h3-5H,1-2H3;/q-2;
InChIKeyJFSYTYIUGLIMJJ-UHFFFAOYSA-N
XLogP1.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.05
LogP ≤ 51.53
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
CID 23558843
N-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+)
CID 59671569
N-but-1-en-2-ylmethanimine;tungsten;yttrium
CID 60089852
N-but-1-en-2-ylmethanimine
CID 60089853
N-(4-methylpent-1-en-2-yl)methanimine;tungsten(2+);yttrium
CID 60089866
N-(3-methylbut-1-en-2-yl)methanimine;hydrochloride
CID 87792893
N-(3-methylpent-1-en-2-yl)methanimine
CID 90970765
N-but-1-en-2-ylmethanimine;tungsten(2+);yttrium
CID 91866514
N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]methanimine
CID 142430208
N-(3,3-dimethylbut-1-en-2-yl)methanimine;yttrium
CID 161088422
N-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium
CID 162276476
N-[(3R)-3-methylpent-1-en-2-yl]methanimine
CID 163947990

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-1-en-2-yl)methanimine;yttrium?
The IUPAC name of N-(3-methylbut-1-en-2-yl)methanimine;yttrium (CID 59037959) is N-(3-methylbut-1-en-2-yl)methanimine;yttrium.
What is the SMILES notation for N-(3-methylbut-1-en-2-yl)methanimine;yttrium?
The canonical SMILES for N-(3-methylbut-1-en-2-yl)methanimine;yttrium is [H]/[C-]=N/C(=[C-]/[H])C(C)C.[Y].
What is the InChIKey of N-(3-methylbut-1-en-2-yl)methanimine;yttrium?
The InChIKey is JFSYTYIUGLIMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.Y/c1-5(2)6(3)7-4;/h3-5H,1-2H3;/q-2;.
What are the key properties of N-(3-methylbut-1-en-2-yl)methanimine;yttrium?
N-(3-methylbut-1-en-2-yl)methanimine;yttrium has a molecular weight of 184.05 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-1-en-2-yl)methanimine;yttrium is sourced from PubChem (CID 59037959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).