triethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium

C10H23N2OY+ — CID 158864254

IUPACtriethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium
SMILESCC[N+](CC)(CC)C(C)C(=O)NC.[Y]
InChIInChI=1S/C10H22N2O.Y/c1-6-12(7-2,8-3)9(4)10(13)11-5;/h9H,6-8H2,1-5H3;/p+1
InChIKeyHZCXNWNQLGQMMC-UHFFFAOYSA-O
MW276.21 g/mol
LogP0.99
Rot. Bonds5

About triethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium

triethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium (PubChem CID 158864254) has the molecular formula C10H23N2OY+ and a molecular weight of 276.21 g/mol. Its IUPAC name is triethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium.

Molecular Properties

Compound Nametriethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium
PubChem CID158864254
Molecular FormulaC10H23N2OY+
Molecular Weight276.21 g/mol
Exact Mass276.09
IUPAC Nametriethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium
SMILESCC[N+](CC)(CC)C(C)C(=O)NC.[Y]
InChIInChI=1S/C10H22N2O.Y/c1-6-12(7-2,8-3)9(4)10(13)11-5;/h9H,6-8H2,1-5H3;/p+1
InChIKeyHZCXNWNQLGQMMC-UHFFFAOYSA-O
XLogP0.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-3-oxopentanamide
CID 55299421
N-methyl-2-methylsulfanylpropanamide
CID 55208447
(2S)-3-hydroxy-N,2-dimethylpropanamide
CID 58246856
[2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride
CID 87227666
(2R)-N-methyl-2-propan-2-ylpentanamide
CID 126694823
5-hydroxy-N,2,4-trimethylpentanamide
CID 157214325
(2R)-2-amino-N-methylbutanamide
CID 14888796
N,2-dimethyl-3-sulfanylpropanamide
CID 13075016
(2R)-2-chloro-N-methylpropanamide
CID 7130812
(2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide
CID 142641958
N,2,5-trimethylhexanamide
CID 78065622
2-bromo-N-methylbutanamide;hydrochloride
CID 154809614

Frequently Asked Questions

What is the IUPAC name of triethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium?
The IUPAC name of triethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium (CID 158864254) is triethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium.
What is the SMILES notation for triethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium?
The canonical SMILES for triethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium is CC[N+](CC)(CC)C(C)C(=O)NC.[Y].
What is the InChIKey of triethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium?
The InChIKey is HZCXNWNQLGQMMC-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H22N2O.Y/c1-6-12(7-2,8-3)9(4)10(13)11-5;/h9H,6-8H2,1-5H3;/p+1.
What are the key properties of triethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium?
triethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium has a molecular weight of 276.21 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[1-(methylamino)-1-oxopropan-2-yl]azanium;yttrium is sourced from PubChem (CID 158864254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).