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

C6H9NW — CID 59671569

IUPACN-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+)
SMILES[H]/[C-]=N/C(=[C-]/[H])C(C)C.[W+2]
InChIInChI=1S/C6H9N.W/c1-5(2)6(3)7-4;/h3-5H,1-2H3;/q-2;+2
InChIKeyWEIUJWMWNYNARB-UHFFFAOYSA-N
MW278.99 g/mol
LogP1.53
Rot. Bonds2

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

N-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+) (PubChem CID 59671569) has the molecular formula C6H9NW and a molecular weight of 278.99 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+).

Molecular Properties

Compound NameN-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+)
PubChem CID59671569
Molecular FormulaC6H9NW
Molecular Weight278.99 g/mol
Exact Mass279.02
IUPAC NameN-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+)
SMILES[H]/[C-]=N/C(=[C-]/[H])C(C)C.[W+2]
InChIInChI=1S/C6H9N.W/c1-5(2)6(3)7-4;/h3-5H,1-2H3;/q-2;+2
InChIKeyWEIUJWMWNYNARB-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 ≤ 500278.99
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;yttrium
CID 59037959
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-(4-methylpent-1-en-2-yl)methanimine;tungsten;yttrium
CID 162276476
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-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+)?
The IUPAC name of N-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+) (CID 59671569) is N-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+).
What is the SMILES notation for N-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+)?
The canonical SMILES for N-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+) is [H]/[C-]=N/C(=[C-]/[H])C(C)C.[W+2].
What is the InChIKey of N-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+)?
The InChIKey is WEIUJWMWNYNARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.W/c1-5(2)6(3)7-4;/h3-5H,1-2H3;/q-2;+2.
What are the key properties of N-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+)?
N-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+) has a molecular weight of 278.99 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;tungsten(2+) is sourced from PubChem (CID 59671569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).