2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium

C24H52NO2+ — CID 11235536

IUPAC2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium
SMILESCCCCCCCCCCCCCCCCCCOC[N+](C)(C)CC(C)O
InChIInChI=1S/C24H52NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-23-25(3,4)22-24(2)26/h24,26H,5-23H2,1-4H3/q+1
InChIKeyXQWJWGNRBTZOTF-UHFFFAOYSA-N
MW386.69 g/mol
LogP6.68
Rot. Bonds21

About 2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium

2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium (PubChem CID 11235536) has the molecular formula C24H52NO2+ and a molecular weight of 386.69 g/mol. Its IUPAC name is 2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium.

Molecular Properties

Compound Name2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium
PubChem CID11235536
Molecular FormulaC24H52NO2+
Molecular Weight386.69 g/mol
Exact Mass386.40
IUPAC Name2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium
SMILESCCCCCCCCCCCCCCCCCCOC[N+](C)(C)CC(C)O
InChIInChI=1S/C24H52NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-23-25(3,4)22-24(2)26/h24,26H,5-23H2,1-4H3/q+1
InChIKeyXQWJWGNRBTZOTF-UHFFFAOYSA-N
XLogP6.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.69
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxypropyl-dimethyl-(octoxymethyl)azanium
CID 11448914
decyl-dimethyl-(octoxymethyl)azanium
CID 10406436
dodecyl-dimethyl-(nonoxymethyl)azanium chloride
CID 3025992
hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride
CID 11299429
dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride
CID 11382153
butoxymethyl-decyl-dimethylazanium
CID 10494975
(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
(3-dodecoxy-2-hydroxypropyl)-[4-[(3-dodecoxy-2-hydroxypropyl)-dimethylazaniumyl]butyl]-dimethylazanium dibromide
CID 175686312
decoxymethyl(trimethyl)azanium
CID 12769756
dodecoxymethyl-tris(2-hydroxyethyl)azanium
CID 3018618
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium?
The IUPAC name of 2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium (CID 11235536) is 2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium.
What is the SMILES notation for 2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium?
The canonical SMILES for 2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium is CCCCCCCCCCCCCCCCCCOC[N+](C)(C)CC(C)O.
What is the InChIKey of 2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium?
The InChIKey is XQWJWGNRBTZOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-23-25(3,4)22-24(2)26/h24,26H,5-23H2,1-4H3/q+1.
What are the key properties of 2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium?
2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium has a molecular weight of 386.69 g/mol, XLogP of 6.68, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium is sourced from PubChem (CID 11235536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).