dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride

C24H48Cl2N4O2 — CID 19837399

IUPACdimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride
SMILESCCCCCCCCC[N+](C)(CC[N+](C)(C)CN1CCCC1=O)CN1CCCC1=O.[Cl-].[Cl-]
InChIInChI=1S/C24H48N4O2.2ClH/c1-5-6-7-8-9-10-11-18-28(4,22-26-17-13-15-24(26)30)20-19-27(2,3)21-25-16-12-14-23(25)29;;/h5-22H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyRXGMTZFGNLVNHT-UHFFFAOYSA-L
MW495.58 g/mol
LogP-2.57
Rot. Bonds15

About dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride

dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride (PubChem CID 19837399) has the molecular formula C24H48Cl2N4O2 and a molecular weight of 495.58 g/mol. Its IUPAC name is dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride.

Molecular Properties

Compound Namedimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride
PubChem CID19837399
Molecular FormulaC24H48Cl2N4O2
Molecular Weight495.58 g/mol
Exact Mass494.32
IUPAC Namedimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride
SMILESCCCCCCCCC[N+](C)(CC[N+](C)(C)CN1CCCC1=O)CN1CCCC1=O.[Cl-].[Cl-]
InChIInChI=1S/C24H48N4O2.2ClH/c1-5-6-7-8-9-10-11-18-28(4,22-26-17-13-15-24(26)30)20-19-27(2,3)21-25-16-12-14-23(25)29;;/h5-22H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyRXGMTZFGNLVNHT-UHFFFAOYSA-L
XLogP-2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 5-2.57
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'}

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Related Compounds

2-[dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl-dodecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
CID 19837413
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-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride
CID 67875719
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
trioctadecyl-[2-(2-oxopyrrolidin-1-yl)ethyl]azanium
CID 67875856
methyl-[(2-oxopyrrolidin-1-yl)methyl]-bis[(tetradecanoylamino)methyl]azanium chloride
CID 67875777
ethyl-methyl-[3-(octadecanoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium bromide
CID 70357841
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
CID 3038567

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride?
The IUPAC name of dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride (CID 19837399) is dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride.
What is the SMILES notation for dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride?
The canonical SMILES for dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride is CCCCCCCCC[N+](C)(CC[N+](C)(C)CN1CCCC1=O)CN1CCCC1=O.[Cl-].[Cl-].
What is the InChIKey of dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride?
The InChIKey is RXGMTZFGNLVNHT-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H48N4O2.2ClH/c1-5-6-7-8-9-10-11-18-28(4,22-26-17-13-15-24(26)30)20-19-27(2,3)21-25-16-12-14-23(25)29;;/h5-22H2,1-4H3;2*1H/q+2;;/p-2.
What are the key properties of dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride?
dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride has a molecular weight of 495.58 g/mol, XLogP of -2.57, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride is sourced from PubChem (CID 19837399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).