3-hydroxypropyl(trimethyl)azanium;hydrochloride

C6H17ClNO+ — CID 88716804

IUPAC3-hydroxypropyl(trimethyl)azanium;hydrochloride
SMILESC[N+](C)(C)CCCO.Cl
InChIInChI=1S/C6H16NO.ClH/c1-7(2,3)5-4-6-8;/h8H,4-6H2,1-3H3;1H/q+1;
InChIKeyVFKZECOCJCGZQK-UHFFFAOYSA-N
MW154.66 g/mol
LogP0.50
Rot. Bonds3

About 3-hydroxypropyl(trimethyl)azanium;hydrochloride

3-hydroxypropyl(trimethyl)azanium;hydrochloride (PubChem CID 88716804) has the molecular formula C6H17ClNO+ and a molecular weight of 154.66 g/mol. Its IUPAC name is 3-hydroxypropyl(trimethyl)azanium;hydrochloride.

Molecular Properties

Compound Name3-hydroxypropyl(trimethyl)azanium;hydrochloride
PubChem CID88716804
Molecular FormulaC6H17ClNO+
Molecular Weight154.66 g/mol
Exact Mass154.10
IUPAC Name3-hydroxypropyl(trimethyl)azanium;hydrochloride
SMILESC[N+](C)(C)CCCO.Cl
InChIInChI=1S/C6H16NO.ClH/c1-7(2,3)5-4-6-8;/h8H,4-6H2,1-3H3;1H/q+1;
InChIKeyVFKZECOCJCGZQK-UHFFFAOYSA-N
XLogP0.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.66
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxybutyl(trimethyl)azanium hydroxide
CID 13115255
16-hydroxyhexadecyl(trimethyl)azanium bromide
CID 10762327
18-hydroxyoctadecyl(trimethyl)azanium;hydrobromide
CID 163969150
3-hydroxypropyl(trimethyl)azanium formate
CID 19704308
2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
CID 175143989
boric acid;butane-1,4-diol;2-hydroxyethyl(trimethyl)azanium;chloride
CID 175230989
2-hydroxybut-2-enoic acid;3-hydroxypropyl(trimethyl)azanium;chloride
CID 175280130
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl(trimethyl)azanium;hydrochloride?
The IUPAC name of 3-hydroxypropyl(trimethyl)azanium;hydrochloride (CID 88716804) is 3-hydroxypropyl(trimethyl)azanium;hydrochloride.
What is the SMILES notation for 3-hydroxypropyl(trimethyl)azanium;hydrochloride?
The canonical SMILES for 3-hydroxypropyl(trimethyl)azanium;hydrochloride is C[N+](C)(C)CCCO.Cl.
What is the InChIKey of 3-hydroxypropyl(trimethyl)azanium;hydrochloride?
The InChIKey is VFKZECOCJCGZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO.ClH/c1-7(2,3)5-4-6-8;/h8H,4-6H2,1-3H3;1H/q+1;.
What are the key properties of 3-hydroxypropyl(trimethyl)azanium;hydrochloride?
3-hydroxypropyl(trimethyl)azanium;hydrochloride has a molecular weight of 154.66 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl(trimethyl)azanium;hydrochloride is sourced from PubChem (CID 88716804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).