1-methyl-1-nonylpyrrolidin-1-ium

C14H30N+ — CID 66835403

IUPAC1-methyl-1-nonylpyrrolidin-1-ium
SMILESCCCCCCCCC[N+]1(C)CCCC1
InChIInChI=1S/C14H30N/c1-3-4-5-6-7-8-9-12-15(2)13-10-11-14-15/h3-14H2,1-2H3/q+1
InChIKeyLMSPMULSARFKPJ-UHFFFAOYSA-N
MW212.40 g/mol
LogP3.98
Rot. Bonds8

About 1-methyl-1-nonylpyrrolidin-1-ium

1-methyl-1-nonylpyrrolidin-1-ium (PubChem CID 66835403) has the molecular formula C14H30N+ and a molecular weight of 212.40 g/mol. Its IUPAC name is 1-methyl-1-nonylpyrrolidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-nonylpyrrolidin-1-ium
PubChem CID66835403
Molecular FormulaC14H30N+
Molecular Weight212.40 g/mol
Exact Mass212.24
IUPAC Name1-methyl-1-nonylpyrrolidin-1-ium
SMILESCCCCCCCCC[N+]1(C)CCCC1
InChIInChI=1S/C14H30N/c1-3-4-5-6-7-8-9-12-15(2)13-10-11-14-15/h3-14H2,1-2H3/q+1
InChIKeyLMSPMULSARFKPJ-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 53.98
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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Related Compounds

1-hexadecyl-1-methylazocan-1-ium bromide
CID 44612945
1-methyl-1-undecylpyrrolidin-1-ium cyanide
CID 171570218
1,4-dimethyl-1,4-di(tetradecyl)piperazine-1,4-diium
CID 101485350
1-methyl-1-[16-(1-methylpyrrolidin-1-ium-1-yl)hexadecyl]pyrrolidin-1-ium
CID 10650384
tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium)
CID 173104248
1-butyl-1-methylpyrrolidin-1-ium iodide
CID 11076461
1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium
CID 3048054
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide
CID 156595016
1-methyl-1-[6-(1-methylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium dihydroxide
CID 156717813
1-heptyl-1-methylpyrrolidin-1-ium acetate
CID 171569618
1-hexyl-1-methylpyrrolidin-1-ium;methanesulfonate
CID 86213059
1-heptyl-1-methylpyrrolidin-1-ium;methanesulfonate
CID 171569555

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-nonylpyrrolidin-1-ium?
The IUPAC name of 1-methyl-1-nonylpyrrolidin-1-ium (CID 66835403) is 1-methyl-1-nonylpyrrolidin-1-ium.
What is the SMILES notation for 1-methyl-1-nonylpyrrolidin-1-ium?
The canonical SMILES for 1-methyl-1-nonylpyrrolidin-1-ium is CCCCCCCCC[N+]1(C)CCCC1.
What is the InChIKey of 1-methyl-1-nonylpyrrolidin-1-ium?
The InChIKey is LMSPMULSARFKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N/c1-3-4-5-6-7-8-9-12-15(2)13-10-11-14-15/h3-14H2,1-2H3/q+1.
What are the key properties of 1-methyl-1-nonylpyrrolidin-1-ium?
1-methyl-1-nonylpyrrolidin-1-ium has a molecular weight of 212.40 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-nonylpyrrolidin-1-ium is sourced from PubChem (CID 66835403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).