dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride

C25H51ClN2O2 — CID 67875719

IUPACdimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride
SMILESCCCCCCCCCCCCCCOCCCC[N+](C)(C)CN1CCCC1=O.[Cl-]
InChIInChI=1S/C25H51N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-16-22-29-23-17-15-21-27(2,3)24-26-20-18-19-25(26)28;/h4-24H2,1-3H3;1H/q+1;/p-1
InChIKeyNNMUHESKNOWNGG-UHFFFAOYSA-M
MW447.15 g/mol
LogP3.14
Rot. Bonds20

About dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride

dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride (PubChem CID 67875719) has the molecular formula C25H51ClN2O2 and a molecular weight of 447.15 g/mol. Its IUPAC name is dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride.

Molecular Properties

Compound Namedimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride
PubChem CID67875719
Molecular FormulaC25H51ClN2O2
Molecular Weight447.15 g/mol
Exact Mass446.36
IUPAC Namedimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride
SMILESCCCCCCCCCCCCCCOCCCC[N+](C)(C)CN1CCCC1=O.[Cl-]
InChIInChI=1S/C25H51N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-16-22-29-23-17-15-21-27(2,3)24-26-20-18-19-25(26)28;/h4-24H2,1-3H3;1H/q+1;/p-1
InChIKeyNNMUHESKNOWNGG-UHFFFAOYSA-M
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.15
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
CID 14093945
dimethyl-[3-[methyl-[(2-oxopyrrolidin-1-yl)methyl]-(3-tetradecoxypropyl)azaniumyl]propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride
CID 19837425
dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride
CID 19837399
2-[dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl-dodecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
CID 19837413
1-(hexoxymethyl)azepan-2-one
CID 15346510
trioctadecyl-[2-(2-oxopyrrolidin-1-yl)ethyl]azanium
CID 67875856
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium
CID 121391981
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
methyl-[(2-oxopyrrolidin-1-yl)methyl]-bis[3-(undecanoylamino)propyl]azanium chloride
CID 67875855
bis[3-(hexadecanoylamino)propyl]-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
CID 67875788

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride?
The IUPAC name of dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride (CID 67875719) is dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride.
What is the SMILES notation for dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride?
The canonical SMILES for dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride is CCCCCCCCCCCCCCOCCCC[N+](C)(C)CN1CCCC1=O.[Cl-].
What is the InChIKey of dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride?
The InChIKey is NNMUHESKNOWNGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H51N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-16-22-29-23-17-15-21-27(2,3)24-26-20-18-19-25(26)28;/h4-24H2,1-3H3;1H/q+1;/p-1.
What are the key properties of dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride?
dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride has a molecular weight of 447.15 g/mol, XLogP of 3.14, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride is sourced from PubChem (CID 67875719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).