1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride

C8H22Cl2N2O — CID 174585698

IUPAC1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride
SMILESCCC(ON(C)C)[N+](C)(C)C.Cl.[Cl-]
InChIInChI=1S/C8H21N2O.2ClH/c1-7-8(10(4,5)6)11-9(2)3;;/h8H,7H2,1-6H3;2*1H/q+1;;/p-1
InChIKeyDYIGDBSCWJMURC-UHFFFAOYSA-M
MW233.18 g/mol
LogP-1.65
Rot. Bonds4

About 1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride

1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride (PubChem CID 174585698) has the molecular formula C8H22Cl2N2O and a molecular weight of 233.18 g/mol. Its IUPAC name is 1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride.

Molecular Properties

Compound Name1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride
PubChem CID174585698
Molecular FormulaC8H22Cl2N2O
Molecular Weight233.18 g/mol
Exact Mass232.11
IUPAC Name1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride
SMILESCCC(ON(C)C)[N+](C)(C)C.Cl.[Cl-]
InChIInChI=1S/C8H21N2O.2ClH/c1-7-8(10(4,5)6)11-9(2)3;;/h8H,7H2,1-6H3;2*1H/q+1;;/p-1
InChIKeyDYIGDBSCWJMURC-UHFFFAOYSA-M
XLogP-1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 5-1.65
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-[hexadecyl(pentyl)amino]oxypropyl-trimethylazanium
CID 174444651
trimethyl(1-trimethoxysilyloxypropyl)azanium hydroxide
CID 175608031
1-(dimethylamino)propyl-trimethylazanium
CID 87382097
trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride
CID 87225118
ethyl-dimethyl-propan-2-yloxyazanium
CID 175365440
N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine
CID 130249112
1-hexadecanoyloxypropyl(trimethyl)azanium iodide
CID 87633326
1-(1-sulfanylpropylsulfanyl)propane-1-thiol
CID 18185507
1-(dimethylamino)ethyl-ethyl-dimethylazanium
CID 126581656
N-methyl-N-pentan-3-yloxyethanamine
CID 87525249
butan-2-yl-methoxy-dimethylazanium
CID 90736856
N-butan-2-yloxy-N-methylmethanamine;1-ethyl-5-methylpyrrolidin-2-one;hydrochloride
CID 87315065

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride?
The IUPAC name of 1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride (CID 174585698) is 1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride.
What is the SMILES notation for 1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride?
The canonical SMILES for 1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride is CCC(ON(C)C)[N+](C)(C)C.Cl.[Cl-].
What is the InChIKey of 1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride?
The InChIKey is DYIGDBSCWJMURC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H21N2O.2ClH/c1-7-8(10(4,5)6)11-9(2)3;;/h8H,7H2,1-6H3;2*1H/q+1;;/p-1.
What are the key properties of 1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride?
1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride has a molecular weight of 233.18 g/mol, XLogP of -1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride is sourced from PubChem (CID 174585698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).