dimethyl-(5-oxo-5-propoxypentyl)azanium

C10H22NO2+ — CID 162020301

IUPACdimethyl-(5-oxo-5-propoxypentyl)azanium
SMILESCCCOC(=O)CCCC[NH+](C)C
InChIInChI=1S/C10H21NO2/c1-4-9-13-10(12)7-5-6-8-11(2)3/h4-9H2,1-3H3/p+1
InChIKeyYUQXQQJCTMZQLR-UHFFFAOYSA-O
MW188.29 g/mol
LogP0.25
Rot. Bonds7

About dimethyl-(5-oxo-5-propoxypentyl)azanium

dimethyl-(5-oxo-5-propoxypentyl)azanium (PubChem CID 162020301) has the molecular formula C10H22NO2+ and a molecular weight of 188.29 g/mol. Its IUPAC name is dimethyl-(5-oxo-5-propoxypentyl)azanium.

Molecular Properties

Compound Namedimethyl-(5-oxo-5-propoxypentyl)azanium
PubChem CID162020301
Molecular FormulaC10H22NO2+
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Namedimethyl-(5-oxo-5-propoxypentyl)azanium
SMILESCCCOC(=O)CCCC[NH+](C)C
InChIInChI=1S/C10H21NO2/c1-4-9-13-10(12)7-5-6-8-11(2)3/h4-9H2,1-3H3/p+1
InChIKeyYUQXQQJCTMZQLR-UHFFFAOYSA-O
XLogP0.25
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-ethoxy-6-oxohexyl)-dimethylazanium
CID 20571658
propyl docosanoate
CID 3015299
bismuthane;propyl pentanoate
CID 174550006
1-O-propyl 10-O-tetradecyl decanedioate
CID 91736271
ethane-1,2-diol;propyl octadecanoate
CID 87479973
propyl 6-(diethylamino)-6-oxohexanoate
CID 123558597
propyl decanoate;undecanoic acid
CID 174913936
dibutyl heptadecanedioate
CID 87117348
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
pentyl hexanoate
CID 10886
bis(3-propoxypropyl) hexanedioate
CID 174802487

Frequently Asked Questions

What is the IUPAC name of dimethyl-(5-oxo-5-propoxypentyl)azanium?
The IUPAC name of dimethyl-(5-oxo-5-propoxypentyl)azanium (CID 162020301) is dimethyl-(5-oxo-5-propoxypentyl)azanium.
What is the SMILES notation for dimethyl-(5-oxo-5-propoxypentyl)azanium?
The canonical SMILES for dimethyl-(5-oxo-5-propoxypentyl)azanium is CCCOC(=O)CCCC[NH+](C)C.
What is the InChIKey of dimethyl-(5-oxo-5-propoxypentyl)azanium?
The InChIKey is YUQXQQJCTMZQLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21NO2/c1-4-9-13-10(12)7-5-6-8-11(2)3/h4-9H2,1-3H3/p+1.
What are the key properties of dimethyl-(5-oxo-5-propoxypentyl)azanium?
dimethyl-(5-oxo-5-propoxypentyl)azanium has a molecular weight of 188.29 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(5-oxo-5-propoxypentyl)azanium is sourced from PubChem (CID 162020301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).