3-hydroxypropyl(trimethyl)azanium chloride

C6H16ClNO — CID 23168

IUPAC3-hydroxypropyl(trimethyl)azanium chloride
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;/p-1
InChIKeyVFKZECOCJCGZQK-UHFFFAOYSA-M
MW153.65 g/mol
LogP-2.92
Rot. Bonds3

About 3-hydroxypropyl(trimethyl)azanium chloride

3-hydroxypropyl(trimethyl)azanium chloride (PubChem CID 23168) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is 3-hydroxypropyl(trimethyl)azanium chloride.

Molecular Properties

Compound Name3-hydroxypropyl(trimethyl)azanium chloride
PubChem CID23168
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Name3-hydroxypropyl(trimethyl)azanium chloride
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;/p-1
InChIKeyVFKZECOCJCGZQK-UHFFFAOYSA-M
XLogP-2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.65
LogP ≤ 5-2.92
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 chloride?
The IUPAC name of 3-hydroxypropyl(trimethyl)azanium chloride (CID 23168) is 3-hydroxypropyl(trimethyl)azanium chloride.
What is the SMILES notation for 3-hydroxypropyl(trimethyl)azanium chloride?
The canonical SMILES for 3-hydroxypropyl(trimethyl)azanium chloride is C[N+](C)(C)CCCO.[Cl-].
What is the InChIKey of 3-hydroxypropyl(trimethyl)azanium chloride?
The InChIKey is VFKZECOCJCGZQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16NO.ClH/c1-7(2,3)5-4-6-8;/h8H,4-6H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 3-hydroxypropyl(trimethyl)azanium chloride?
3-hydroxypropyl(trimethyl)azanium chloride has a molecular weight of 153.65 g/mol, XLogP of -2.92, 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 chloride is sourced from PubChem (CID 23168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).