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

C10H22N3O2+ — CID 20652486

IUPAC[[2-[acetyl(methyl)amino]acetyl]-methylamino]methyl-trimethylazanium
SMILESCC(=O)N(C)CC(=O)N(C)C[N+](C)(C)C
InChIInChI=1S/C10H22N3O2/c1-9(14)11(2)7-10(15)12(3)8-13(4,5)6/h7-8H2,1-6H3/q+1
InChIKeyBJTDNHBKAQGRRM-UHFFFAOYSA-N
MW216.30 g/mol
LogP-0.41
Rot. Bonds4

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

[[2-[acetyl(methyl)amino]acetyl]-methylamino]methyl-trimethylazanium (PubChem CID 20652486) has the molecular formula C10H22N3O2+ and a molecular weight of 216.30 g/mol. Its IUPAC name is [[2-[acetyl(methyl)amino]acetyl]-methylamino]methyl-trimethylazanium.

Molecular Properties

Compound Name[[2-[acetyl(methyl)amino]acetyl]-methylamino]methyl-trimethylazanium
PubChem CID20652486
Molecular FormulaC10H22N3O2+
Molecular Weight216.30 g/mol
Exact Mass216.17
IUPAC Name[[2-[acetyl(methyl)amino]acetyl]-methylamino]methyl-trimethylazanium
SMILESCC(=O)N(C)CC(=O)N(C)C[N+](C)(C)C
InChIInChI=1S/C10H22N3O2/c1-9(14)11(2)7-10(15)12(3)8-13(4,5)6/h7-8H2,1-6H3/q+1
InChIKeyBJTDNHBKAQGRRM-UHFFFAOYSA-N
XLogP-0.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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]acetyl]-methylamino]methyl-trimethylazanium?
The IUPAC name of [[2-[acetyl(methyl)amino]acetyl]-methylamino]methyl-trimethylazanium (CID 20652486) is [[2-[acetyl(methyl)amino]acetyl]-methylamino]methyl-trimethylazanium.
What is the SMILES notation for [[2-[acetyl(methyl)amino]acetyl]-methylamino]methyl-trimethylazanium?
The canonical SMILES for [[2-[acetyl(methyl)amino]acetyl]-methylamino]methyl-trimethylazanium is CC(=O)N(C)CC(=O)N(C)C[N+](C)(C)C.
What is the InChIKey of [[2-[acetyl(methyl)amino]acetyl]-methylamino]methyl-trimethylazanium?
The InChIKey is BJTDNHBKAQGRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N3O2/c1-9(14)11(2)7-10(15)12(3)8-13(4,5)6/h7-8H2,1-6H3/q+1.
What are the key properties of [[2-[acetyl(methyl)amino]acetyl]-methylamino]methyl-trimethylazanium?
[[2-[acetyl(methyl)amino]acetyl]-methylamino]methyl-trimethylazanium has a molecular weight of 216.30 g/mol, XLogP of -0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[acetyl(methyl)amino]acetyl]-methylamino]methyl-trimethylazanium is sourced from PubChem (CID 20652486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).