trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium

C8H18NO2+ — CID 657347

IUPACtrimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium
SMILESC[C@H]1OC[C@@H](C[N+](C)(C)C)O1
InChIInChI=1S/C8H18NO2/c1-7-10-6-8(11-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m0/s1
InChIKeyCOSSAOQSSXDIQW-JGVFFNPUSA-N
MW160.24 g/mol
LogP0.45
Rot. Bonds2

About trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium

trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium (PubChem CID 657347) has the molecular formula C8H18NO2+ and a molecular weight of 160.24 g/mol. Its IUPAC name is trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium
PubChem CID657347
Molecular FormulaC8H18NO2+
Molecular Weight160.24 g/mol
Exact Mass160.13
IUPAC Nametrimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium
SMILESC[C@H]1OC[C@@H](C[N+](C)(C)C)O1
InChIInChI=1S/C8H18NO2/c1-7-10-6-8(11-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m0/s1
InChIKeyCOSSAOQSSXDIQW-JGVFFNPUSA-N
XLogP0.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium?
The IUPAC name of trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium (CID 657347) is trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium.
What is the SMILES notation for trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium?
The canonical SMILES for trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium is C[C@H]1OC[C@@H](C[N+](C)(C)C)O1.
What is the InChIKey of trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium?
The InChIKey is COSSAOQSSXDIQW-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H18NO2/c1-7-10-6-8(11-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m0/s1.
What are the key properties of trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium?
trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium has a molecular weight of 160.24 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium is sourced from PubChem (CID 657347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).