dimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium

C26H51N4O2+ — CID 70387510

IUPACdimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium
SMILESCCCCCCCCC[N+](C)(C)C(CCN1CCCC1=O)(CCN1CCCC1=O)CNC
InChIInChI=1S/C26H51N4O2/c1-5-6-7-8-9-10-11-22-30(3,4)26(23-27-2,16-20-28-18-12-14-24(28)31)17-21-29-19-13-15-25(29)32/h27H,5-23H2,1-4H3/q+1
InChIKeyFWIOSDXXCGMQFN-UHFFFAOYSA-N
MW451.72 g/mol
LogP3.80
Rot. Bonds17

About dimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium

dimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium (PubChem CID 70387510) has the molecular formula C26H51N4O2+ and a molecular weight of 451.72 g/mol. Its IUPAC name is dimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium.

Molecular Properties

Compound Namedimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium
PubChem CID70387510
Molecular FormulaC26H51N4O2+
Molecular Weight451.72 g/mol
Exact Mass451.40
IUPAC Namedimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium
SMILESCCCCCCCCC[N+](C)(C)C(CCN1CCCC1=O)(CCN1CCCC1=O)CNC
InChIInChI=1S/C26H51N4O2/c1-5-6-7-8-9-10-11-22-30(3,4)26(23-27-2,16-20-28-18-12-14-24(28)31)17-21-29-19-13-15-25(29)32/h27H,5-23H2,1-4H3/q+1
InChIKeyFWIOSDXXCGMQFN-UHFFFAOYSA-N
XLogP3.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.72
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trioctadecyl-[2-(2-oxopyrrolidin-1-yl)ethyl]azanium
CID 67875856
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
CID 14093945
dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium
CID 121391981
diethyl-[4-(ethylamino)-1-(2-oxopyrrolidin-1-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]butan-2-yl]-tetradecylazanium
CID 70386681
2-[dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl-dodecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
CID 19837413
trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
CID 23918
dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride
CID 19837399
1-dodecylpyrrolidin-2-one;1-ethylpyrrolidin-2-one;1-methylpyrrolidin-2-one
CID 157493291
dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride
CID 67875719
butane-1-sulfonic acid;1-octylpyrrolidin-2-one
CID 174526304

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium?
The IUPAC name of dimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium (CID 70387510) is dimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium.
What is the SMILES notation for dimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium?
The canonical SMILES for dimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium is CCCCCCCCC[N+](C)(C)C(CCN1CCCC1=O)(CCN1CCCC1=O)CNC.
What is the InChIKey of dimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium?
The InChIKey is FWIOSDXXCGMQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N4O2/c1-5-6-7-8-9-10-11-22-30(3,4)26(23-27-2,16-20-28-18-12-14-24(28)31)17-21-29-19-13-15-25(29)32/h27H,5-23H2,1-4H3/q+1.
What are the key properties of dimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium?
dimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium has a molecular weight of 451.72 g/mol, XLogP of 3.80, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(methylaminomethyl)-1,5-bis(2-oxopyrrolidin-1-yl)pentan-3-yl]-nonylazanium is sourced from PubChem (CID 70387510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).