trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium

C8H19N2+ — CID 10986547

IUPACtrimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium
SMILESC[N+](C)(C)C[C@@H]1CCCN1
InChIInChI=1S/C8H19N2/c1-10(2,3)7-8-5-4-6-9-8/h8-9H,4-7H2,1-3H3/q+1/t8-/m0/s1
InChIKeyFFMPONWPWSWZHW-QMMMGPOBSA-N
MW143.25 g/mol
LogP0.44
Rot. Bonds2

About trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium

trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium (PubChem CID 10986547) has the molecular formula C8H19N2+ and a molecular weight of 143.25 g/mol. Its IUPAC name is trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium
PubChem CID10986547
Molecular FormulaC8H19N2+
Molecular Weight143.25 g/mol
Exact Mass143.15
IUPAC Nametrimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium
SMILESC[N+](C)(C)C[C@@H]1CCCN1
InChIInChI=1S/C8H19N2/c1-10(2,3)7-8-5-4-6-9-8/h8-9H,4-7H2,1-3H3/q+1/t8-/m0/s1
InChIKeyFFMPONWPWSWZHW-QMMMGPOBSA-N
XLogP0.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylsulfanylethyl)pyrrolidine
CID 81142989
pyrrolidin-2-ylmethanethiol
CID 15793333
CID 18724132
CID 18724132
ethane;2-propylpyrrolidine
CID 143349498
methyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide
CID 90743593
ethane;(2R)-2-propylpyrrolidine
CID 155717204
2-(3-methylsulfanylpropyl)pyrrolidine
CID 62479260
ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride
CID 178147337
[(2S)-pyrrolidin-2-yl]methanol;zinc
CID 175136372
(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486
N-methyl-1-pyrrolidin-2-ylmethanamine;molecular hydrogen
CID 153348528
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium?
The IUPAC name of trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium (CID 10986547) is trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium.
What is the SMILES notation for trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium?
The canonical SMILES for trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium is C[N+](C)(C)C[C@@H]1CCCN1.
What is the InChIKey of trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium?
The InChIKey is FFMPONWPWSWZHW-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19N2/c1-10(2,3)7-8-5-4-6-9-8/h8-9H,4-7H2,1-3H3/q+1/t8-/m0/s1.
What are the key properties of trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium?
trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium has a molecular weight of 143.25 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium is sourced from PubChem (CID 10986547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).