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

C24H48N4O2+2 — CID 19837400

IUPACdimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium
SMILESCCCCCCCCC[N+](C)(CC[N+](C)(C)CN1CCCC1=O)CN1CCCC1=O
InChIInChI=1S/C24H48N4O2/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/q+2
InChIKeyJLPAYDNLZNOKFK-UHFFFAOYSA-N
MW424.67 g/mol
LogP3.42
Rot. Bonds15

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

dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium (PubChem CID 19837400) has the molecular formula C24H48N4O2+2 and a molecular weight of 424.67 g/mol. Its IUPAC name is dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium
PubChem CID19837400
Molecular FormulaC24H48N4O2+2
Molecular Weight424.67 g/mol
Exact Mass424.38
IUPAC Namedimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium
SMILESCCCCCCCCC[N+](C)(CC[N+](C)(C)CN1CCCC1=O)CN1CCCC1=O
InChIInChI=1S/C24H48N4O2/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/q+2
InChIKeyJLPAYDNLZNOKFK-UHFFFAOYSA-N
XLogP3.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.67
LogP ≤ 53.42
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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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?
The IUPAC name of dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium (CID 19837400) is dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium.
What is the SMILES notation for dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The canonical SMILES for dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium is CCCCCCCCC[N+](C)(CC[N+](C)(C)CN1CCCC1=O)CN1CCCC1=O.
What is the InChIKey of dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The InChIKey is JLPAYDNLZNOKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N4O2/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/q+2.
What are the key properties of dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium?
dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium has a molecular weight of 424.67 g/mol, XLogP of 3.42, 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 is sourced from PubChem (CID 19837400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).