CID 173387183

C21H39AlN — CID 173387183

IUPAC—
SMILESCCCCCCCCCCCCCCCC[AlH].c1ccncc1
InChIInChI=1S/C16H33.C5H5N.Al.H/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2-4-6-5-3-1;;/h1,3-16H2,2H3;1-5H;;
InChIKeyHUUUJZSUASYIFM-UHFFFAOYSA-N
MW332.53 g/mol
LogP6.87
Rot. Bonds14

About CID 173387183

CID 173387183 (PubChem CID 173387183) has the molecular formula C21H39AlN and a molecular weight of 332.53 g/mol.

Molecular Properties

Compound NameCID 173387183
PubChem CID173387183
Molecular FormulaC21H39AlN
Molecular Weight332.53 g/mol
Exact Mass332.29
IUPAC Name—
SMILESCCCCCCCCCCCCCCCC[AlH].c1ccncc1
InChIInChI=1S/C16H33.C5H5N.Al.H/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2-4-6-5-3-1;;/h1,3-16H2,2H3;1-5H;;
InChIKeyHUUUJZSUASYIFM-UHFFFAOYSA-N
XLogP6.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 173387183 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

1-chlorooctane;pyridine
CID 19599073
hexane;propan-2-one;pyridine
CID 66842615
butane;pyridine
CID 66630740
octadecanoic acid;pyridine
CID 67593140
7-chlorohexadecane;pyridine
CID 67860983
CID 131664046
CID 131664046
dodecylbenzene;pyridine
CID 174718010
N-butylbutan-1-amine;pyridine
CID 163678267
1-hexadecylpyridin-1-ium;pyridine;hydrochloride
CID 174613453
heptan-2-one;pyridine
CID 162006039
ethane;methane;pyridine
CID 159650211
nonadecyl acetate;pyridine
CID 70392562

Frequently Asked Questions

What is the IUPAC name of CID 173387183?
The IUPAC name of CID 173387183 (CID 173387183) is not available.
What is the SMILES notation for CID 173387183?
The canonical SMILES for CID 173387183 is CCCCCCCCCCCCCCCC[AlH].c1ccncc1.
What is the InChIKey of CID 173387183?
The InChIKey is HUUUJZSUASYIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33.C5H5N.Al.H/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2-4-6-5-3-1;;/h1,3-16H2,2H3;1-5H;;.
What are the key properties of CID 173387183?
CID 173387183 has a molecular weight of 332.53 g/mol, XLogP of 6.87, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173387183 is sourced from PubChem (CID 173387183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).