1-hydroxytricosan-11-ylazanium iodide

C23H50INO — CID 89439401

IUPAC1-hydroxytricosan-11-ylazanium iodide
SMILESCCCCCCCCCCCCC([NH3+])CCCCCCCCCCO.[I-]
InChIInChI=1S/C23H49NO.HI/c1-2-3-4-5-6-7-8-11-14-17-20-23(24)21-18-15-12-9-10-13-16-19-22-25;/h23,25H,2-22,24H2,1H3;1H
InChIKeyBGVRXAONELSCLO-UHFFFAOYSA-N
MW483.56 g/mol
LogP3.42
Rot. Bonds21

About 1-hydroxytricosan-11-ylazanium iodide

1-hydroxytricosan-11-ylazanium iodide (PubChem CID 89439401) has the molecular formula C23H50INO and a molecular weight of 483.56 g/mol. Its IUPAC name is 1-hydroxytricosan-11-ylazanium iodide.

Molecular Properties

Compound Name1-hydroxytricosan-11-ylazanium iodide
PubChem CID89439401
Molecular FormulaC23H50INO
Molecular Weight483.56 g/mol
Exact Mass483.29
IUPAC Name1-hydroxytricosan-11-ylazanium iodide
SMILESCCCCCCCCCCCCC([NH3+])CCCCCCCCCCO.[I-]
InChIInChI=1S/C23H49NO.HI/c1-2-3-4-5-6-7-8-11-14-17-20-23(24)21-18-15-12-9-10-13-16-19-22-25;/h23,25H,2-22,24H2,1H3;1H
InChIKeyBGVRXAONELSCLO-UHFFFAOYSA-N
XLogP3.42
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-hydroxytricosan-11-ylazanium iodide 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

heptatriacontan-19-ylazanium
CID 22345110
henicosan-11-ylazanium
CID 22645794
9-polanylicosan-1-ol
CID 175323783
12-hydroxydodecan-3-ylazanium bromide
CID 177225118
5-decylheptadecan-1-ol
CID 171774120
11-octylicosan-1-ol
CID 162349984
magnesium;hexan-1-ol;iodide
CID 173010286
octan-1-ol;pentane-1,5-diol
CID 174867151
hexadecane;hexadecan-1-ol
CID 22418546
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432

Frequently Asked Questions

What is the IUPAC name of 1-hydroxytricosan-11-ylazanium iodide?
The IUPAC name of 1-hydroxytricosan-11-ylazanium iodide (CID 89439401) is 1-hydroxytricosan-11-ylazanium iodide.
What is the SMILES notation for 1-hydroxytricosan-11-ylazanium iodide?
The canonical SMILES for 1-hydroxytricosan-11-ylazanium iodide is CCCCCCCCCCCCC([NH3+])CCCCCCCCCCO.[I-].
What is the InChIKey of 1-hydroxytricosan-11-ylazanium iodide?
The InChIKey is BGVRXAONELSCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO.HI/c1-2-3-4-5-6-7-8-11-14-17-20-23(24)21-18-15-12-9-10-13-16-19-22-25;/h23,25H,2-22,24H2,1H3;1H.
What are the key properties of 1-hydroxytricosan-11-ylazanium iodide?
1-hydroxytricosan-11-ylazanium iodide has a molecular weight of 483.56 g/mol, XLogP of 3.42, 21 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxytricosan-11-ylazanium iodide is sourced from PubChem (CID 89439401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).