1-but-2-en-2-ylimino-N-methylmethanamine;yttrium

C6H10N2Y-2 — CID 59874816

IUPAC1-but-2-en-2-ylimino-N-methylmethanamine;yttrium
SMILESC/[C-]=C(C)/N=[C-]/NC.[Y]
InChIInChI=1S/C6H10N2.Y/c1-4-6(2)8-5-7-3;/h1-3H3,(H,7,8);/q-2;
InChIKeyLFZVWFKIHDVFOL-UHFFFAOYSA-N
MW199.07 g/mol
LogP0.84
Rot. Bonds2

About 1-but-2-en-2-ylimino-N-methylmethanamine;yttrium

1-but-2-en-2-ylimino-N-methylmethanamine;yttrium (PubChem CID 59874816) has the molecular formula C6H10N2Y-2 and a molecular weight of 199.07 g/mol. Its IUPAC name is 1-but-2-en-2-ylimino-N-methylmethanamine;yttrium.

Molecular Properties

Compound Name1-but-2-en-2-ylimino-N-methylmethanamine;yttrium
PubChem CID59874816
Molecular FormulaC6H10N2Y-2
Molecular Weight199.07 g/mol
Exact Mass198.99
IUPAC Name1-but-2-en-2-ylimino-N-methylmethanamine;yttrium
SMILESC/[C-]=C(C)/N=[C-]/NC.[Y]
InChIInChI=1S/C6H10N2.Y/c1-4-6(2)8-5-7-3;/h1-3H3,(H,7,8);/q-2;
InChIKeyLFZVWFKIHDVFOL-UHFFFAOYSA-N
XLogP0.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.07
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Carbanide;5-methyl-1,4-dihydroimidazol-4-ide;yttrium
CID 59919462
4,5-dimethyl-1H-imidazol-1-ium iodide
CID 145803183
Carbanide;5-methyl-1,4-dihydroimidazol-4-ide;yttrium(3+)
CID 54719925

Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-ylimino-N-methylmethanamine;yttrium?
The IUPAC name of 1-but-2-en-2-ylimino-N-methylmethanamine;yttrium (CID 59874816) is 1-but-2-en-2-ylimino-N-methylmethanamine;yttrium.
What is the SMILES notation for 1-but-2-en-2-ylimino-N-methylmethanamine;yttrium?
The canonical SMILES for 1-but-2-en-2-ylimino-N-methylmethanamine;yttrium is C/[C-]=C(C)/N=[C-]/NC.[Y].
What is the InChIKey of 1-but-2-en-2-ylimino-N-methylmethanamine;yttrium?
The InChIKey is LFZVWFKIHDVFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.Y/c1-4-6(2)8-5-7-3;/h1-3H3,(H,7,8);/q-2;.
What are the key properties of 1-but-2-en-2-ylimino-N-methylmethanamine;yttrium?
1-but-2-en-2-ylimino-N-methylmethanamine;yttrium has a molecular weight of 199.07 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-ylimino-N-methylmethanamine;yttrium is sourced from PubChem (CID 59874816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).