[1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium

C15H24NOPSY — CID 156737684

IUPAC[1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium
SMILESCCCC(C(=O)Nc1c(C)cccc1C)[P+](C)(C)[S-].[Y]
InChIInChI=1S/C15H24NOPS.Y/c1-6-8-13(18(4,5)19)15(17)16-14-11(2)9-7-10-12(14)3;/h7,9-10,13H,6,8H2,1-5H3,(H,16,17);
InChIKeyZYIVKLNFSWMRFE-UHFFFAOYSA-N
MW386.31 g/mol
LogP4.15
Rot. Bonds5

About [1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium

[1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium (PubChem CID 156737684) has the molecular formula C15H24NOPSY and a molecular weight of 386.31 g/mol. Its IUPAC name is [1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium.

Molecular Properties

Compound Name[1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium
PubChem CID156737684
Molecular FormulaC15H24NOPSY
Molecular Weight386.31 g/mol
Exact Mass386.04
IUPAC Name[1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium
SMILESCCCC(C(=O)Nc1c(C)cccc1C)[P+](C)(C)[S-].[Y]
InChIInChI=1S/C15H24NOPS.Y/c1-6-8-13(18(4,5)19)15(17)16-14-11(2)9-7-10-12(14)3;/h7,9-10,13H,6,8H2,1-5H3,(H,16,17);
InChIKeyZYIVKLNFSWMRFE-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 158149589
2-(diethylamino)-N-(2,6-dimethylphenyl)pentanamide
CID 3048765
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
N-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide
CID 20978214
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736
[2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium
CID 158602570
5-(2-ethyl-6-methylanilino)-4-methyl-5-oxopentanoic acid
CID 112517138
2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750
4-cyano-N-(2,6-dimethylphenyl)heptanamide
CID 112516684

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium?
The IUPAC name of [1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium (CID 156737684) is [1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium.
What is the SMILES notation for [1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium?
The canonical SMILES for [1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium is CCCC(C(=O)Nc1c(C)cccc1C)[P+](C)(C)[S-].[Y].
What is the InChIKey of [1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium?
The InChIKey is ZYIVKLNFSWMRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NOPS.Y/c1-6-8-13(18(4,5)19)15(17)16-14-11(2)9-7-10-12(14)3;/h7,9-10,13H,6,8H2,1-5H3,(H,16,17);.
What are the key properties of [1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium?
[1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium has a molecular weight of 386.31 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium is sourced from PubChem (CID 156737684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).