1-hydroxypropyl(dimethyl)azanium bromide

C5H14BrNO — CID 90237065

IUPAC1-hydroxypropyl(dimethyl)azanium bromide
SMILESCCC(O)[NH+](C)C.[Br-]
InChIInChI=1S/C5H13NO.BrH/c1-4-5(7)6(2)3;/h5,7H,4H2,1-3H3;1H
InChIKeyZOLRXGMPSYSVPX-UHFFFAOYSA-N
MW184.08 g/mol
LogP-4.14
Rot. Bonds2

About 1-hydroxypropyl(dimethyl)azanium bromide

1-hydroxypropyl(dimethyl)azanium bromide (PubChem CID 90237065) has the molecular formula C5H14BrNO and a molecular weight of 184.08 g/mol. Its IUPAC name is 1-hydroxypropyl(dimethyl)azanium bromide.

Molecular Properties

Compound Name1-hydroxypropyl(dimethyl)azanium bromide
PubChem CID90237065
Molecular FormulaC5H14BrNO
Molecular Weight184.08 g/mol
Exact Mass183.03
IUPAC Name1-hydroxypropyl(dimethyl)azanium bromide
SMILESCCC(O)[NH+](C)C.[Br-]
InChIInChI=1S/C5H13NO.BrH/c1-4-5(7)6(2)3;/h5,7H,4H2,1-3H3;1H
InChIKeyZOLRXGMPSYSVPX-UHFFFAOYSA-N
XLogP-4.14
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.08
LogP ≤ 5-4.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

dimethyl(pentan-3-yl)azanium chloride
CID 172706957
methane;propane-1,1-diol
CID 157390682
pentan-3-ol
CID 11428
2,2-dihydroxyethyl-ethyl-methylazanium bromide
CID 141281383
aluminum butan-2-ol
CID 23623700
pentakis(butan-2-ol);molybdenum
CID 152613437
molecular iodine;propane-1,1-diol
CID 141479363
pentan-3-ol;dihydrochloride
CID 141116397
CID 157498325
CID 157498325
butan-2-ol
CID 123926829
tris(butan-2-ol);gallane
CID 175569742
1,4-bis(ethylsulfanyl)butane-1,4-diol
CID 88730101

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropyl(dimethyl)azanium bromide?
The IUPAC name of 1-hydroxypropyl(dimethyl)azanium bromide (CID 90237065) is 1-hydroxypropyl(dimethyl)azanium bromide.
What is the SMILES notation for 1-hydroxypropyl(dimethyl)azanium bromide?
The canonical SMILES for 1-hydroxypropyl(dimethyl)azanium bromide is CCC(O)[NH+](C)C.[Br-].
What is the InChIKey of 1-hydroxypropyl(dimethyl)azanium bromide?
The InChIKey is ZOLRXGMPSYSVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.BrH/c1-4-5(7)6(2)3;/h5,7H,4H2,1-3H3;1H.
What are the key properties of 1-hydroxypropyl(dimethyl)azanium bromide?
1-hydroxypropyl(dimethyl)azanium bromide has a molecular weight of 184.08 g/mol, XLogP of -4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropyl(dimethyl)azanium bromide is sourced from PubChem (CID 90237065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).