1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide

C19H42Br2N2 — CID 173426187

IUPAC1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide
SMILESBr.C1CCNC1.CCCCCCCCCC[N+]1(C)CCCC1.[Br-]
InChIInChI=1S/C15H32N.C4H9N.2BrH/c1-3-4-5-6-7-8-9-10-13-16(2)14-11-12-15-16;1-2-4-5-3-1;;/h3-15H2,1-2H3;5H,1-4H2;2*1H/q+1;;;/p-1
InChIKeyGIUQMIGDTRNHNI-UHFFFAOYSA-M
MW458.37 g/mol
LogP2.32
Rot. Bonds9

About 1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide

1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide (PubChem CID 173426187) has the molecular formula C19H42Br2N2 and a molecular weight of 458.37 g/mol. Its IUPAC name is 1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide.

Molecular Properties

Compound Name1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide
PubChem CID173426187
Molecular FormulaC19H42Br2N2
Molecular Weight458.37 g/mol
Exact Mass456.17
IUPAC Name1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide
SMILESBr.C1CCNC1.CCCCCCCCCC[N+]1(C)CCCC1.[Br-]
InChIInChI=1S/C15H32N.C4H9N.2BrH/c1-3-4-5-6-7-8-9-10-13-16(2)14-11-12-15-16;1-2-4-5-3-1;;/h3-15H2,1-2H3;5H,1-4H2;2*1H/q+1;;;/p-1
InChIKeyGIUQMIGDTRNHNI-UHFFFAOYSA-M
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
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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Related Compounds

1-hexadecyl-1-methylazocan-1-ium bromide
CID 44612945
1-methyl-1-nonylpyrrolidin-1-ium
CID 66835403
1-methyl-1-undecylpyrrolidin-1-ium cyanide
CID 171570218
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide
CID 156595016
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-[6-(1-methylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium dihydroxide
CID 156717813
1-heptyl-1-methylpyrrolidin-1-ium acetate
CID 171569618
1-heptyl-1-methylpyrrolidin-1-ium;methanesulfonate
CID 171569555

Frequently Asked Questions

What is the IUPAC name of 1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide?
The IUPAC name of 1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide (CID 173426187) is 1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide.
What is the SMILES notation for 1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide?
The canonical SMILES for 1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide is Br.C1CCNC1.CCCCCCCCCC[N+]1(C)CCCC1.[Br-].
What is the InChIKey of 1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide?
The InChIKey is GIUQMIGDTRNHNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H32N.C4H9N.2BrH/c1-3-4-5-6-7-8-9-10-13-16(2)14-11-12-15-16;1-2-4-5-3-1;;/h3-15H2,1-2H3;5H,1-4H2;2*1H/q+1;;;/p-1.
What are the key properties of 1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide?
1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide has a molecular weight of 458.37 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide is sourced from PubChem (CID 173426187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).