2-[acetyl(methyl)amino]ethyl-trimethylazanium

C8H19N2O+ — CID 6454138

IUPAC2-[acetyl(methyl)amino]ethyl-trimethylazanium
SMILESCC(=O)N(C)CC[N+](C)(C)C
InChIInChI=1S/C8H19N2O/c1-8(11)9(2)6-7-10(3,4)5/h6-7H2,1-5H3/q+1
InChIKeyHILSFIUJMIHZNZ-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.17
Rot. Bonds3

About 2-[acetyl(methyl)amino]ethyl-trimethylazanium

2-[acetyl(methyl)amino]ethyl-trimethylazanium (PubChem CID 6454138) has the molecular formula C8H19N2O+ and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]ethyl-trimethylazanium
PubChem CID6454138
Molecular FormulaC8H19N2O+
Molecular Weight159.25 g/mol
Exact Mass159.15
IUPAC Name2-[acetyl(methyl)amino]ethyl-trimethylazanium
SMILESCC(=O)N(C)CC[N+](C)(C)C
InChIInChI=1S/C8H19N2O/c1-8(11)9(2)6-7-10(3,4)5/h6-7H2,1-5H3/q+1
InChIKeyHILSFIUJMIHZNZ-UHFFFAOYSA-N
XLogP0.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-[acetyl(methyl)amino]ethyl-trimethylazanium?
The IUPAC name of 2-[acetyl(methyl)amino]ethyl-trimethylazanium (CID 6454138) is 2-[acetyl(methyl)amino]ethyl-trimethylazanium.
What is the SMILES notation for 2-[acetyl(methyl)amino]ethyl-trimethylazanium?
The canonical SMILES for 2-[acetyl(methyl)amino]ethyl-trimethylazanium is CC(=O)N(C)CC[N+](C)(C)C.
What is the InChIKey of 2-[acetyl(methyl)amino]ethyl-trimethylazanium?
The InChIKey is HILSFIUJMIHZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O/c1-8(11)9(2)6-7-10(3,4)5/h6-7H2,1-5H3/q+1.
What are the key properties of 2-[acetyl(methyl)amino]ethyl-trimethylazanium?
2-[acetyl(methyl)amino]ethyl-trimethylazanium has a molecular weight of 159.25 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]ethyl-trimethylazanium is sourced from PubChem (CID 6454138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).