(E)-2-ethylbut-2-en-1-amine;yttrium

C6H12NY- — CID 59029524

IUPAC(E)-2-ethylbut-2-en-1-amine;yttrium
SMILES[CH2-]C/C(=C\C)CN.[Y]
InChIInChI=1S/C6H12N.Y/c1-3-6(4-2)5-7;/h4H,1,3,5,7H2,2H3;/q-1;/b6-4+;
InChIKeyYENGAPOXDVVVNI-CVDVRWGVSA-N
MW187.07 g/mol
LogP1.11
Rot. Bonds2

About (E)-2-ethylbut-2-en-1-amine;yttrium

(E)-2-ethylbut-2-en-1-amine;yttrium (PubChem CID 59029524) has the molecular formula C6H12NY- and a molecular weight of 187.07 g/mol. Its IUPAC name is (E)-2-ethylbut-2-en-1-amine;yttrium.

Molecular Properties

Compound Name(E)-2-ethylbut-2-en-1-amine;yttrium
PubChem CID59029524
Molecular FormulaC6H12NY-
Molecular Weight187.07 g/mol
Exact Mass187.00
IUPAC Name(E)-2-ethylbut-2-en-1-amine;yttrium
SMILES[CH2-]C/C(=C\C)CN.[Y]
InChIInChI=1S/C6H12N.Y/c1-3-6(4-2)5-7;/h4H,1,3,5,7H2,2H3;/q-1;/b6-4+;
InChIKeyYENGAPOXDVVVNI-CVDVRWGVSA-N
XLogP1.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.07
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-2-ethylbut-2-en-1-amine;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethylbut-2-en-1-amine;yttrium?
The IUPAC name of (E)-2-ethylbut-2-en-1-amine;yttrium (CID 59029524) is (E)-2-ethylbut-2-en-1-amine;yttrium.
What is the SMILES notation for (E)-2-ethylbut-2-en-1-amine;yttrium?
The canonical SMILES for (E)-2-ethylbut-2-en-1-amine;yttrium is [CH2-]C/C(=C\C)CN.[Y].
What is the InChIKey of (E)-2-ethylbut-2-en-1-amine;yttrium?
The InChIKey is YENGAPOXDVVVNI-CVDVRWGVSA-N. The full InChI is InChI=1S/C6H12N.Y/c1-3-6(4-2)5-7;/h4H,1,3,5,7H2,2H3;/q-1;/b6-4+;.
What are the key properties of (E)-2-ethylbut-2-en-1-amine;yttrium?
(E)-2-ethylbut-2-en-1-amine;yttrium has a molecular weight of 187.07 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethylbut-2-en-1-amine;yttrium is sourced from PubChem (CID 59029524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).