N,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium

C8H15NOWY — CID 91868213

IUPACN,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium
SMILESC=C(COC)C([CH2-])(C)N[CH2-].[W+2].[Y]
InChIInChI=1S/C8H15NO.W.Y/c1-7(6-10-5)8(2,3)9-4;;/h9H,1-2,4,6H2,3,5H3;;/q-2;+2;
InChIKeyMYGDUBANCWVSDJ-UHFFFAOYSA-N
MW413.96 g/mol
LogP1.16
Rot. Bonds4

About N,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium

N,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium (PubChem CID 91868213) has the molecular formula C8H15NOWY and a molecular weight of 413.96 g/mol. Its IUPAC name is N,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium.

Molecular Properties

Compound NameN,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium
PubChem CID91868213
Molecular FormulaC8H15NOWY
Molecular Weight413.96 g/mol
Exact Mass413.97
IUPAC NameN,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium
SMILESC=C(COC)C([CH2-])(C)N[CH2-].[W+2].[Y]
InChIInChI=1S/C8H15NO.W.Y/c1-7(6-10-5)8(2,3)9-4;;/h9H,1-2,4,6H2,3,5H3;;/q-2;+2;
InChIKeyMYGDUBANCWVSDJ-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.96
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium?
The IUPAC name of N,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium (CID 91868213) is N,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium.
What is the SMILES notation for N,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium?
The canonical SMILES for N,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium is C=C(COC)C([CH2-])(C)N[CH2-].[W+2].[Y].
What is the InChIKey of N,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium?
The InChIKey is MYGDUBANCWVSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.W.Y/c1-7(6-10-5)8(2,3)9-4;;/h9H,1-2,4,6H2,3,5H3;;/q-2;+2;.
What are the key properties of N,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium?
N,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium has a molecular weight of 413.96 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium is sourced from PubChem (CID 91868213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).