3-aminooxypropyl(trimethyl)azanium bromide

C6H17BrN2O — CID 155683086

IUPAC3-aminooxypropyl(trimethyl)azanium bromide
SMILESC[N+](C)(C)CCCON.[Br-]
InChIInChI=1S/C6H17N2O.BrH/c1-8(2,3)5-4-6-9-7;/h4-7H2,1-3H3;1H/q+1;/p-1
InChIKeyQTPOMZUMXZTOMC-UHFFFAOYSA-M
MW213.12 g/mol
LogP-3.02
Rot. Bonds4

About 3-aminooxypropyl(trimethyl)azanium bromide

3-aminooxypropyl(trimethyl)azanium bromide (PubChem CID 155683086) has the molecular formula C6H17BrN2O and a molecular weight of 213.12 g/mol. Its IUPAC name is 3-aminooxypropyl(trimethyl)azanium bromide.

Molecular Properties

Compound Name3-aminooxypropyl(trimethyl)azanium bromide
PubChem CID155683086
Molecular FormulaC6H17BrN2O
Molecular Weight213.12 g/mol
Exact Mass212.05
IUPAC Name3-aminooxypropyl(trimethyl)azanium bromide
SMILESC[N+](C)(C)CCCON.[Br-]
InChIInChI=1S/C6H17N2O.BrH/c1-8(2,3)5-4-6-9-7;/h4-7H2,1-3H3;1H/q+1;/p-1
InChIKeyQTPOMZUMXZTOMC-UHFFFAOYSA-M
XLogP-3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.12
LogP ≤ 5-3.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

O-(3-(dimethylamino)propyl)hydroxylamine dihydrochloride
CID 21884286
O-[3-(dimethylamino)propyl]hydroxylamine
CID 10630465
Trimethyl-methoxypropanyl-ammonium-bromide
CID 129704811
O-[3-(diethylamino)propyl]hydroxylamine
CID 12795796
N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine
CID 14880863
O-[3-[butyl(ethyl)amino]propyl]hydroxylamine
CID 14880869
O-[3-(dimethylamino)propyl]hydroxylamine;hydrochloride
CID 18993377
1-Propanamine, 3-(aminooxy)-N,N,2-trimethyl-
CID 20494539
O-[1-(dimethylamino)propyl]hydroxylamine;dihydrochloride
CID 20494541
O-[1-(diethylamino)propyl]hydroxylamine
CID 20572600
O-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride
CID 22479554
3-(15N)azanyloxy(1,2,3-13C3)propyl(trimethyl)azanium
CID 58091997

Frequently Asked Questions

What is the IUPAC name of 3-aminooxypropyl(trimethyl)azanium bromide?
The IUPAC name of 3-aminooxypropyl(trimethyl)azanium bromide (CID 155683086) is 3-aminooxypropyl(trimethyl)azanium bromide.
What is the SMILES notation for 3-aminooxypropyl(trimethyl)azanium bromide?
The canonical SMILES for 3-aminooxypropyl(trimethyl)azanium bromide is C[N+](C)(C)CCCON.[Br-].
What is the InChIKey of 3-aminooxypropyl(trimethyl)azanium bromide?
The InChIKey is QTPOMZUMXZTOMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H17N2O.BrH/c1-8(2,3)5-4-6-9-7;/h4-7H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 3-aminooxypropyl(trimethyl)azanium bromide?
3-aminooxypropyl(trimethyl)azanium bromide has a molecular weight of 213.12 g/mol, XLogP of -3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminooxypropyl(trimethyl)azanium bromide is sourced from PubChem (CID 155683086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).