1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium

C15H22NOY- — CID 134974548

IUPAC1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium
SMILESCC(O)(CNC1CCCCC1)c1[c-]cccc1.[Y]
InChIInChI=1S/C15H22NO.Y/c1-15(17,13-8-4-2-5-9-13)12-16-14-10-6-3-7-11-14;/h2,4-5,8,14,16-17H,3,6-7,10-12H2,1H3;/q-1;
InChIKeyKUERMULWUJAFIS-UHFFFAOYSA-N
MW321.25 g/mol
LogP2.61
Rot. Bonds4

About 1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium

1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium (PubChem CID 134974548) has the molecular formula C15H22NOY- and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium.

Molecular Properties

Compound Name1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium
PubChem CID134974548
Molecular FormulaC15H22NOY-
Molecular Weight321.25 g/mol
Exact Mass321.08
IUPAC Name1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium
SMILESCC(O)(CNC1CCCCC1)c1[c-]cccc1.[Y]
InChIInChI=1S/C15H22NO.Y/c1-15(17,13-8-4-2-5-9-13)12-16-14-10-6-3-7-11-14;/h2,4-5,8,14,16-17H,3,6-7,10-12H2,1H3;/q-1;
InChIKeyKUERMULWUJAFIS-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium?
The IUPAC name of 1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium (CID 134974548) is 1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium.
What is the SMILES notation for 1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium?
The canonical SMILES for 1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium is CC(O)(CNC1CCCCC1)c1[c-]cccc1.[Y].
What is the InChIKey of 1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium?
The InChIKey is KUERMULWUJAFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO.Y/c1-15(17,13-8-4-2-5-9-13)12-16-14-10-6-3-7-11-14;/h2,4-5,8,14,16-17H,3,6-7,10-12H2,1H3;/q-1;.
What are the key properties of 1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium?
1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium has a molecular weight of 321.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-2-phenylpropan-2-ol;yttrium is sourced from PubChem (CID 134974548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).