[2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium

C9H23N2O2+ — CID 12902130

IUPAC[2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium
SMILESCOC(C[N+](C)(C)C)(OC)N(C)C
InChIInChI=1S/C9H23N2O2/c1-10(2)9(12-6,13-7)8-11(3,4)5/h8H2,1-7H3/q+1
InChIKeyZJPVHZATYOAFTK-UHFFFAOYSA-N
MW191.29 g/mol
LogP0.20
Rot. Bonds5

About [2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium

[2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium (PubChem CID 12902130) has the molecular formula C9H23N2O2+ and a molecular weight of 191.29 g/mol. Its IUPAC name is [2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium
PubChem CID12902130
Molecular FormulaC9H23N2O2+
Molecular Weight191.29 g/mol
Exact Mass191.18
IUPAC Name[2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium
SMILESCOC(C[N+](C)(C)C)(OC)N(C)C
InChIInChI=1S/C9H23N2O2/c1-10(2)9(12-6,13-7)8-11(3,4)5/h8H2,1-7H3/q+1
InChIKeyZJPVHZATYOAFTK-UHFFFAOYSA-N
XLogP0.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

[1-(dimethylamino)-1-methoxypropyl] methyl sulfate
CID 134894052
1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine
CID 12551193
2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 160709278
1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine
CID 174943740
[2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium
CID 89473036
N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine
CID 173044621
iodomethyl(trimethyl)azanium;hydroiodide
CID 123134447
[(2R)-2-(carboxymethyl)-5-deuterio-2-hydroxy-3-oxopentyl]-trimethylazanium
CID 139633592
N-chloro-2-methoxy-N,2-dimethylpropan-1-amine
CID 152926276
(2-acetyl-2-hydroxy-3-oxobutyl)-trimethylazanium
CID 18364704
trimethyl-(1,2,2-trimethoxy-1-silylpropyl)azanium
CID 174419403
2-(dimethylamino)-4-methoxy-4-methylpentanoic acid
CID 106676156

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium?
The IUPAC name of [2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium (CID 12902130) is [2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium.
What is the SMILES notation for [2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium?
The canonical SMILES for [2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium is COC(C[N+](C)(C)C)(OC)N(C)C.
What is the InChIKey of [2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium?
The InChIKey is ZJPVHZATYOAFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N2O2/c1-10(2)9(12-6,13-7)8-11(3,4)5/h8H2,1-7H3/q+1.
What are the key properties of [2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium?
[2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium has a molecular weight of 191.29 g/mol, XLogP of 0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium is sourced from PubChem (CID 12902130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).