N-butan-2-ylethanimine;yttrium

C6H11NY-2 — CID 59797811

IUPACN-butan-2-ylethanimine;yttrium
SMILESC/[C-]=N/C(C)[CH-]C.[Y]
InChIInChI=1S/C6H11N.Y/c1-4-6(3)7-5-2;/h4,6H,1-3H3;/q-2;
InChIKeyKDKRUNPZGKFMBD-UHFFFAOYSA-N
MW186.07 g/mol
LogP1.56
Rot. Bonds2

About N-butan-2-ylethanimine;yttrium

N-butan-2-ylethanimine;yttrium (PubChem CID 59797811) has the molecular formula C6H11NY-2 and a molecular weight of 186.07 g/mol. Its IUPAC name is N-butan-2-ylethanimine;yttrium.

Molecular Properties

Compound NameN-butan-2-ylethanimine;yttrium
PubChem CID59797811
Molecular FormulaC6H11NY-2
Molecular Weight186.07 g/mol
Exact Mass186.00
IUPAC NameN-butan-2-ylethanimine;yttrium
SMILESC/[C-]=N/C(C)[CH-]C.[Y]
InChIInChI=1S/C6H11N.Y/c1-4-6(3)7-5-2;/h4,6H,1-3H3;/q-2;
InChIKeyKDKRUNPZGKFMBD-UHFFFAOYSA-N
XLogP1.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.07
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylethanimine;yttrium?
The IUPAC name of N-butan-2-ylethanimine;yttrium (CID 59797811) is N-butan-2-ylethanimine;yttrium.
What is the SMILES notation for N-butan-2-ylethanimine;yttrium?
The canonical SMILES for N-butan-2-ylethanimine;yttrium is C/[C-]=N/C(C)[CH-]C.[Y].
What is the InChIKey of N-butan-2-ylethanimine;yttrium?
The InChIKey is KDKRUNPZGKFMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.Y/c1-4-6(3)7-5-2;/h4,6H,1-3H3;/q-2;.
What are the key properties of N-butan-2-ylethanimine;yttrium?
N-butan-2-ylethanimine;yttrium has a molecular weight of 186.07 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylethanimine;yttrium is sourced from PubChem (CID 59797811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).