dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium

C14H29N2O+ — CID 68724493

IUPACdimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium
SMILESCCCCC[N+](C)(C)CCN1C(=O)CCC1C
InChIInChI=1S/C14H29N2O/c1-5-6-7-11-16(3,4)12-10-15-13(2)8-9-14(15)17/h13H,5-12H2,1-4H3/q+1
InChIKeyNCKZJTOZYJJMGQ-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.26
Rot. Bonds7

About dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium

dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium (PubChem CID 68724493) has the molecular formula C14H29N2O+ and a molecular weight of 241.40 g/mol. Its IUPAC name is dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium.

Molecular Properties

Compound Namedimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium
PubChem CID68724493
Molecular FormulaC14H29N2O+
Molecular Weight241.40 g/mol
Exact Mass241.23
IUPAC Namedimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium
SMILESCCCCC[N+](C)(C)CCN1C(=O)CCC1C
InChIInChI=1S/C14H29N2O/c1-5-6-7-11-16(3,4)12-10-15-13(2)8-9-14(15)17/h13H,5-12H2,1-4H3/q+1
InChIKeyNCKZJTOZYJJMGQ-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium?
The IUPAC name of dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium (CID 68724493) is dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium.
What is the SMILES notation for dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium?
The canonical SMILES for dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium is CCCCC[N+](C)(C)CCN1C(=O)CCC1C.
What is the InChIKey of dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium?
The InChIKey is NCKZJTOZYJJMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N2O/c1-5-6-7-11-16(3,4)12-10-15-13(2)8-9-14(15)17/h13H,5-12H2,1-4H3/q+1.
What are the key properties of dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium?
dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium has a molecular weight of 241.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-pentylazanium is sourced from PubChem (CID 68724493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).