1-methyl-1-tetradecylpyrrolidin-1-ium bromide

C19H40BrN — CID 10594819

IUPAC1-methyl-1-tetradecylpyrrolidin-1-ium bromide
SMILESCCCCCCCCCCCCCC[N+]1(C)CCCC1.[Br-]
InChIInChI=1S/C19H40N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20(2)18-15-16-19-20;/h3-19H2,1-2H3;1H/q+1;/p-1
InChIKeyFSWWVOMSFSYTRH-UHFFFAOYSA-M
MW362.44 g/mol
LogP2.93
Rot. Bonds13

About 1-methyl-1-tetradecylpyrrolidin-1-ium bromide

1-methyl-1-tetradecylpyrrolidin-1-ium bromide (PubChem CID 10594819) has the molecular formula C19H40BrN and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-methyl-1-tetradecylpyrrolidin-1-ium bromide.

Molecular Properties

Compound Name1-methyl-1-tetradecylpyrrolidin-1-ium bromide
PubChem CID10594819
Molecular FormulaC19H40BrN
Molecular Weight362.44 g/mol
Exact Mass361.23
IUPAC Name1-methyl-1-tetradecylpyrrolidin-1-ium bromide
SMILESCCCCCCCCCCCCCC[N+]1(C)CCCC1.[Br-]
InChIInChI=1S/C19H40N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20(2)18-15-16-19-20;/h3-19H2,1-2H3;1H/q+1;/p-1
InChIKeyFSWWVOMSFSYTRH-UHFFFAOYSA-M
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-methyl-1-tetradecylpyrrolidin-1-ium bromide?
The IUPAC name of 1-methyl-1-tetradecylpyrrolidin-1-ium bromide (CID 10594819) is 1-methyl-1-tetradecylpyrrolidin-1-ium bromide.
What is the SMILES notation for 1-methyl-1-tetradecylpyrrolidin-1-ium bromide?
The canonical SMILES for 1-methyl-1-tetradecylpyrrolidin-1-ium bromide is CCCCCCCCCCCCCC[N+]1(C)CCCC1.[Br-].
What is the InChIKey of 1-methyl-1-tetradecylpyrrolidin-1-ium bromide?
The InChIKey is FSWWVOMSFSYTRH-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H40N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20(2)18-15-16-19-20;/h3-19H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-1-tetradecylpyrrolidin-1-ium bromide?
1-methyl-1-tetradecylpyrrolidin-1-ium bromide has a molecular weight of 362.44 g/mol, XLogP of 2.93, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-tetradecylpyrrolidin-1-ium bromide is sourced from PubChem (CID 10594819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).