2-hydroxypropyl(trimethyl)azanium hydroxide

C6H17NO2 — CID 14475291

IUPAC2-hydroxypropyl(trimethyl)azanium hydroxide
SMILESCC(O)C[N+](C)(C)C.[OH-]
InChIInChI=1S/C6H16NO.H2O/c1-6(8)5-7(2,3)4;/h6,8H,5H2,1-4H3;1H2/q+1;/p-1
InChIKeySHAMRMCOVNDTCS-UHFFFAOYSA-M
MW135.21 g/mol
LogP-0.10
Rot. Bonds2

About 2-hydroxypropyl(trimethyl)azanium hydroxide

2-hydroxypropyl(trimethyl)azanium hydroxide (PubChem CID 14475291) has the molecular formula C6H17NO2 and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-hydroxypropyl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Name2-hydroxypropyl(trimethyl)azanium hydroxide
PubChem CID14475291
Molecular FormulaC6H17NO2
Molecular Weight135.21 g/mol
Exact Mass135.13
IUPAC Name2-hydroxypropyl(trimethyl)azanium hydroxide
SMILESCC(O)C[N+](C)(C)C.[OH-]
InChIInChI=1S/C6H16NO.H2O/c1-6(8)5-7(2,3)4;/h6,8H,5H2,1-4H3;1H2/q+1;/p-1
InChIKeySHAMRMCOVNDTCS-UHFFFAOYSA-M
XLogP-0.10
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl(trimethyl)azanium hydroxide?
The IUPAC name of 2-hydroxypropyl(trimethyl)azanium hydroxide (CID 14475291) is 2-hydroxypropyl(trimethyl)azanium hydroxide.
What is the SMILES notation for 2-hydroxypropyl(trimethyl)azanium hydroxide?
The canonical SMILES for 2-hydroxypropyl(trimethyl)azanium hydroxide is CC(O)C[N+](C)(C)C.[OH-].
What is the InChIKey of 2-hydroxypropyl(trimethyl)azanium hydroxide?
The InChIKey is SHAMRMCOVNDTCS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16NO.H2O/c1-6(8)5-7(2,3)4;/h6,8H,5H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of 2-hydroxypropyl(trimethyl)azanium hydroxide?
2-hydroxypropyl(trimethyl)azanium hydroxide has a molecular weight of 135.21 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl(trimethyl)azanium hydroxide is sourced from PubChem (CID 14475291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).