dimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium

C24H34NO+ — CID 164732553

IUPACdimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium
SMILESCCC(=O)C(C[C@H](CC(C)C)[NH+](C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO/c1-6-23(26)24(20-13-9-7-10-14-20,21-15-11-8-12-16-21)18-22(25(4)5)17-19(2)3/h7-16,19,22H,6,17-18H2,1-5H3/p+1/t22-/m0/s1
InChIKeyGTBXHWAISFROHE-QFIPXVFZSA-O
MW352.54 g/mol
LogP3.90
Rot. Bonds9

About dimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium

dimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium (PubChem CID 164732553) has the molecular formula C24H34NO+ and a molecular weight of 352.54 g/mol. Its IUPAC name is dimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium.

Molecular Properties

Compound Namedimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium
PubChem CID164732553
Molecular FormulaC24H34NO+
Molecular Weight352.54 g/mol
Exact Mass352.26
IUPAC Namedimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium
SMILESCCC(=O)C(C[C@H](CC(C)C)[NH+](C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO/c1-6-23(26)24(20-13-9-7-10-14-20,21-15-11-8-12-16-21)18-22(25(4)5)17-19(2)3/h7-16,19,22H,6,17-18H2,1-5H3/p+1/t22-/m0/s1
InChIKeyGTBXHWAISFROHE-QFIPXVFZSA-O
XLogP3.90
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S,3R)-2-hydroxy-6-oxo-5,5-diphenyloctan-3-yl]-dimethylazanium
CID 164732578
(6R)-6-(methylamino)-4,4-diphenylheptan-3-one
CID 131842164
6-(dimethylamino)-4,4-diphenylheptan-3-one;hydroiodide
CID 171389978
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
CID 144673539
N,N-dimethyl-5-oxo-4,4-diphenylheptan-2-amine oxide
CID 610077
(3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid
CID 154665813
6-(dimethylamino)-4,4-diphenylheptan-3-one;2-methylprop-2-enoic acid;hydrochloride
CID 122684376
6-morpholin-4-yl-4,4-diphenylheptan-3-one
CID 10089
(4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid
CID 164732652
6-oxo-5,5-diphenyloctanoic acid
CID 19981505
4-ethyl-4-phenylhexan-3-one
CID 63083231
[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-N-methyl-N-(5-oxo-4,4-diphenylheptan-2-yl)phosphonamidic acid
CID 143187382

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium?
The IUPAC name of dimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium (CID 164732553) is dimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium.
What is the SMILES notation for dimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium?
The canonical SMILES for dimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium is CCC(=O)C(C[C@H](CC(C)C)[NH+](C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of dimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium?
The InChIKey is GTBXHWAISFROHE-QFIPXVFZSA-O. The full InChI is InChI=1S/C24H33NO/c1-6-23(26)24(20-13-9-7-10-14-20,21-15-11-8-12-16-21)18-22(25(4)5)17-19(2)3/h7-16,19,22H,6,17-18H2,1-5H3/p+1/t22-/m0/s1.
What are the key properties of dimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium?
dimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium has a molecular weight of 352.54 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium is sourced from PubChem (CID 164732553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).