N-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium

C7H11NWY-2 — CID 162276476

IUPACN-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium
SMILES[H]/[C-]=N/C(=C)[CH-]C(C)C.[W].[Y]
InChIInChI=1S/C7H11N.W.Y/c1-6(2)5-7(3)8-4;;/h4-6H,3H2,1-2H3;;/q-2;;
InChIKeyJXDDNCWNJLFWSZ-UHFFFAOYSA-N
MW381.92 g/mol
LogP1.93
Rot. Bonds3

About N-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium

N-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium (PubChem CID 162276476) has the molecular formula C7H11NWY-2 and a molecular weight of 381.92 g/mol. Its IUPAC name is N-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium.

Molecular Properties

Compound NameN-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium
PubChem CID162276476
Molecular FormulaC7H11NWY-2
Molecular Weight381.92 g/mol
Exact Mass381.95
IUPAC NameN-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium
SMILES[H]/[C-]=N/C(=C)[CH-]C(C)C.[W].[Y]
InChIInChI=1S/C7H11N.W.Y/c1-6(2)5-7(3)8-4;;/h4-6H,3H2,1-2H3;;/q-2;;
InChIKeyJXDDNCWNJLFWSZ-UHFFFAOYSA-N
XLogP1.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.92
LogP ≤ 51.93
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-(5-methylhex-1-en-2-yl)methanimine;tungsten(2+)
CID 58767682
N-(3-methylbut-1-en-2-yl)methanimine;yttrium
CID 59037959
N-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+)
CID 59671569
N-(4-methylpent-1-en-2-yl)methanimine;tungsten(2+);yttrium
CID 60089866
N-(3-methylpent-1-en-2-yl)methanimine
CID 90970765
N-(3,4-dimethylpent-1-en-2-yl)methanimine
CID 142017406
N-[(3R)-3-methylpent-1-en-2-yl]methanimine
CID 163947990
N-(4-methylpent-1-en-2-yl)methanimine
CID 60089867

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium?
The IUPAC name of N-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium (CID 162276476) is N-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium.
What is the SMILES notation for N-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium?
The canonical SMILES for N-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium is [H]/[C-]=N/C(=C)[CH-]C(C)C.[W].[Y].
What is the InChIKey of N-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium?
The InChIKey is JXDDNCWNJLFWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.W.Y/c1-6(2)5-7(3)8-4;;/h4-6H,3H2,1-2H3;;/q-2;;.
What are the key properties of N-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium?
N-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium has a molecular weight of 381.92 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium is sourced from PubChem (CID 162276476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).