N,N-dimethylethanamine oxide;hydrochloride

C4H12ClNO — CID 42639630

IUPACN,N-dimethylethanamine oxide;hydrochloride
SMILESCC[N+](C)(C)[O-].Cl
InChIInChI=1S/C4H11NO.ClH/c1-4-5(2,3)6;/h4H2,1-3H3;1H
InChIKeyVZPDIVDAAUPWJR-UHFFFAOYSA-N
MW125.60 g/mol
LogP1.00
Rot. Bonds1

About N,N-dimethylethanamine oxide;hydrochloride

N,N-dimethylethanamine oxide;hydrochloride (PubChem CID 42639630) has the molecular formula C4H12ClNO and a molecular weight of 125.60 g/mol. Its IUPAC name is N,N-dimethylethanamine oxide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylethanamine oxide;hydrochloride
PubChem CID42639630
Molecular FormulaC4H12ClNO
Molecular Weight125.60 g/mol
Exact Mass125.06
IUPAC NameN,N-dimethylethanamine oxide;hydrochloride
SMILESCC[N+](C)(C)[O-].Cl
InChIInChI=1S/C4H11NO.ClH/c1-4-5(2,3)6;/h4H2,1-3H3;1H
InChIKeyVZPDIVDAAUPWJR-UHFFFAOYSA-N
XLogP1.00
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.60
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methylpropan-1-amine oxide
CID 102278866
N,N,N',N'-tetraethylethane-1,2-diamine oxide
CID 20535654
ethyl(trimethyl)azanium;dihydrate
CID 174491612
N-(dichloromethyl)-N-ethylethanamine oxide;hydrochloride
CID 141198484
triethyl(methyl)azanium iodate
CID 158535675
N-dithiocarboxy-N-ethylethanamine oxide
CID 138115734
diethyl-methanidyl-methylazanium
CID 123448649
N,N-dimethylmethanamine oxide;hydroiodide
CID 119095335
butane;sulfane;hydrochloride
CID 173081400
N,N-dimethyldecan-1-amine oxide;dihydrate
CID 22556484
perchloric acid;triethyl(methyl)azanium
CID 87764447
diethyl(dimethyl)azanium;bromide;hydrate
CID 174914404

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine oxide;hydrochloride?
The IUPAC name of N,N-dimethylethanamine oxide;hydrochloride (CID 42639630) is N,N-dimethylethanamine oxide;hydrochloride.
What is the SMILES notation for N,N-dimethylethanamine oxide;hydrochloride?
The canonical SMILES for N,N-dimethylethanamine oxide;hydrochloride is CC[N+](C)(C)[O-].Cl.
What is the InChIKey of N,N-dimethylethanamine oxide;hydrochloride?
The InChIKey is VZPDIVDAAUPWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.ClH/c1-4-5(2,3)6;/h4H2,1-3H3;1H.
What are the key properties of N,N-dimethylethanamine oxide;hydrochloride?
N,N-dimethylethanamine oxide;hydrochloride has a molecular weight of 125.60 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine oxide;hydrochloride is sourced from PubChem (CID 42639630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).