diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium

C17H22NO+ — CID 6942690

IUPACdiethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium
SMILESCC[NH+](CC)[C@@H](C)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO/c1-4-18(5-2)13(3)17(19)16-11-10-14-8-6-7-9-15(14)12-16/h6-13H,4-5H2,1-3H3/p+1/t13-/m0/s1
InChIKeyYODIAZBEBIXKAD-ZDUSSCGKSA-O
MW256.37 g/mol
LogP2.34
Rot. Bonds5

About diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium

diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium (PubChem CID 6942690) has the molecular formula C17H22NO+ and a molecular weight of 256.37 g/mol. Its IUPAC name is diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Namediethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium
PubChem CID6942690
Molecular FormulaC17H22NO+
Molecular Weight256.37 g/mol
Exact Mass256.17
IUPAC Namediethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium
SMILESCC[NH+](CC)[C@@H](C)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO/c1-4-18(5-2)13(3)17(19)16-11-10-14-8-6-7-9-15(14)12-16/h6-13H,4-5H2,1-3H3/p+1/t13-/m0/s1
InChIKeyYODIAZBEBIXKAD-ZDUSSCGKSA-O
XLogP2.34
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
2-methylbutyl naphthalene-2-carboxylate
CID 21339899
2-methoxy-1-naphthalen-2-ylpropan-1-one
CID 79616176
(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one
CID 86328422
(2R)-2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 102464315
2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 116553536
(2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one
CID 781909
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
(2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one
CID 124518898
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7698131

Frequently Asked Questions

What is the IUPAC name of diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium?
The IUPAC name of diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium (CID 6942690) is diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium.
What is the SMILES notation for diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium?
The canonical SMILES for diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium is CC[NH+](CC)[C@@H](C)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium?
The InChIKey is YODIAZBEBIXKAD-ZDUSSCGKSA-O. The full InChI is InChI=1S/C17H21NO/c1-4-18(5-2)13(3)17(19)16-11-10-14-8-6-7-9-15(14)12-16/h6-13H,4-5H2,1-3H3/p+1/t13-/m0/s1.
What are the key properties of diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium?
diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium has a molecular weight of 256.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 6942690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).