3-hydroxypropyl(trimethyl)azanium

C6H16NO+ — CID 23169

IUPAC3-hydroxypropyl(trimethyl)azanium
SMILESC[N+](C)(C)CCCO
InChIInChI=1S/C6H16NO/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3/q+1
InChIKeyAACHVWXCVWWMSI-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.08
Rot. Bonds3

About 3-hydroxypropyl(trimethyl)azanium

3-hydroxypropyl(trimethyl)azanium (PubChem CID 23169) has the molecular formula C6H16NO+ and a molecular weight of 118.20 g/mol. Its IUPAC name is 3-hydroxypropyl(trimethyl)azanium.

Molecular Properties

Compound Name3-hydroxypropyl(trimethyl)azanium
PubChem CID23169
Molecular FormulaC6H16NO+
Molecular Weight118.20 g/mol
Exact Mass118.12
IUPAC Name3-hydroxypropyl(trimethyl)azanium
SMILESC[N+](C)(C)CCCO
InChIInChI=1S/C6H16NO/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3/q+1
InChIKeyAACHVWXCVWWMSI-UHFFFAOYSA-N
XLogP0.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.08
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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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl(trimethyl)azanium?
The IUPAC name of 3-hydroxypropyl(trimethyl)azanium (CID 23169) is 3-hydroxypropyl(trimethyl)azanium.
What is the SMILES notation for 3-hydroxypropyl(trimethyl)azanium?
The canonical SMILES for 3-hydroxypropyl(trimethyl)azanium is C[N+](C)(C)CCCO.
What is the InChIKey of 3-hydroxypropyl(trimethyl)azanium?
The InChIKey is AACHVWXCVWWMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3/q+1.
What are the key properties of 3-hydroxypropyl(trimethyl)azanium?
3-hydroxypropyl(trimethyl)azanium has a molecular weight of 118.20 g/mol, XLogP of 0.08, 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 is sourced from PubChem (CID 23169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).