N-cyclohexylethanimine;yttrium

C8H13NY-2 — CID 58247545

IUPACN-cyclohexylethanimine;yttrium
SMILES[CH2-]/C=N\C1[CH-]CCCC1.[Y]
InChIInChI=1S/C8H13N.Y/c1-2-9-8-6-4-3-5-7-8;/h2,6,8H,1,3-5,7H2;/q-2;/b9-2-;
InChIKeyDCACHTYGJYJXMG-LABXZRATSA-N
MW212.10 g/mol
LogP2.04
Rot. Bonds1

About N-cyclohexylethanimine;yttrium

N-cyclohexylethanimine;yttrium (PubChem CID 58247545) has the molecular formula C8H13NY-2 and a molecular weight of 212.10 g/mol. Its IUPAC name is N-cyclohexylethanimine;yttrium.

Molecular Properties

Compound NameN-cyclohexylethanimine;yttrium
PubChem CID58247545
Molecular FormulaC8H13NY-2
Molecular Weight212.10 g/mol
Exact Mass212.01
IUPAC NameN-cyclohexylethanimine;yttrium
SMILES[CH2-]/C=N\C1[CH-]CCCC1.[Y]
InChIInChI=1S/C8H13N.Y/c1-2-9-8-6-4-3-5-7-8;/h2,6,8H,1,3-5,7H2;/q-2;/b9-2-;
InChIKeyDCACHTYGJYJXMG-LABXZRATSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.10
LogP ≤ 52.04
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-cyclohexylethanimine;yttrium?
The IUPAC name of N-cyclohexylethanimine;yttrium (CID 58247545) is N-cyclohexylethanimine;yttrium.
What is the SMILES notation for N-cyclohexylethanimine;yttrium?
The canonical SMILES for N-cyclohexylethanimine;yttrium is [CH2-]/C=N\C1[CH-]CCCC1.[Y].
What is the InChIKey of N-cyclohexylethanimine;yttrium?
The InChIKey is DCACHTYGJYJXMG-LABXZRATSA-N. The full InChI is InChI=1S/C8H13N.Y/c1-2-9-8-6-4-3-5-7-8;/h2,6,8H,1,3-5,7H2;/q-2;/b9-2-;.
What are the key properties of N-cyclohexylethanimine;yttrium?
N-cyclohexylethanimine;yttrium has a molecular weight of 212.10 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylethanimine;yttrium is sourced from PubChem (CID 58247545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).