3-hydroxypropyl-dimethyl-octylazanium

C13H30NO+ — CID 139953479

IUPAC3-hydroxypropyl-dimethyl-octylazanium
SMILESCCCCCCCC[N+](C)(C)CCCO
InChIInChI=1S/C13H30NO/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-15/h15H,4-13H2,1-3H3/q+1
InChIKeyJQALSBHKARENGT-UHFFFAOYSA-N
MW216.39 g/mol
LogP2.81
Rot. Bonds10

About 3-hydroxypropyl-dimethyl-octylazanium

3-hydroxypropyl-dimethyl-octylazanium (PubChem CID 139953479) has the molecular formula C13H30NO+ and a molecular weight of 216.39 g/mol. Its IUPAC name is 3-hydroxypropyl-dimethyl-octylazanium.

Molecular Properties

Compound Name3-hydroxypropyl-dimethyl-octylazanium
PubChem CID139953479
Molecular FormulaC13H30NO+
Molecular Weight216.39 g/mol
Exact Mass216.23
IUPAC Name3-hydroxypropyl-dimethyl-octylazanium
SMILESCCCCCCCC[N+](C)(C)CCCO
InChIInChI=1S/C13H30NO/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-15/h15H,4-13H2,1-3H3/q+1
InChIKeyJQALSBHKARENGT-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

16-hydroxyhexadecyl-dimethyl-octadecylazanium
CID 88609359
docosyl-(16-hydroxyhexadecyl)-dimethylazanium
CID 141314234
21-hydroxyhenicosyl-dimethyl-octadecylazanium
CID 159508846
decyl-(6-hydroxyhexyl)-dimethylazanium chloride
CID 167454737
3-hydroxypropyl-[6-[3-hydroxypropyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide
CID 24833340
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
dodecyl-dimethyl-undecylazanium
CID 21491028
decyl-dimethyl-tetradecylazanium
CID 13075680
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl-dimethyl-octylazanium?
The IUPAC name of 3-hydroxypropyl-dimethyl-octylazanium (CID 139953479) is 3-hydroxypropyl-dimethyl-octylazanium.
What is the SMILES notation for 3-hydroxypropyl-dimethyl-octylazanium?
The canonical SMILES for 3-hydroxypropyl-dimethyl-octylazanium is CCCCCCCC[N+](C)(C)CCCO.
What is the InChIKey of 3-hydroxypropyl-dimethyl-octylazanium?
The InChIKey is JQALSBHKARENGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30NO/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-15/h15H,4-13H2,1-3H3/q+1.
What are the key properties of 3-hydroxypropyl-dimethyl-octylazanium?
3-hydroxypropyl-dimethyl-octylazanium has a molecular weight of 216.39 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl-dimethyl-octylazanium is sourced from PubChem (CID 139953479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).