1-decylpyridin-4-imine;hydrobromide

C15H27BrN2 — CID 16682221

IUPAC1-decylpyridin-4-imine;hydrobromide
SMILESBr.[H]N=c1ccn(CCCCCCCCCC)cc1
InChIInChI=1S/C15H26N2.BrH/c1-2-3-4-5-6-7-8-9-12-17-13-10-15(16)11-14-17;/h10-11,13-14,16H,2-9,12H2,1H3;1H
InChIKeyXZQDEJNZYKZZER-UHFFFAOYSA-N
MW315.30 g/mol
LogP4.69
Rot. Bonds9

About 1-decylpyridin-4-imine;hydrobromide

1-decylpyridin-4-imine;hydrobromide (PubChem CID 16682221) has the molecular formula C15H27BrN2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-decylpyridin-4-imine;hydrobromide.

Molecular Properties

Compound Name1-decylpyridin-4-imine;hydrobromide
PubChem CID16682221
Molecular FormulaC15H27BrN2
Molecular Weight315.30 g/mol
Exact Mass314.14
IUPAC Name1-decylpyridin-4-imine;hydrobromide
SMILESBr.[H]N=c1ccn(CCCCCCCCCC)cc1
InChIInChI=1S/C15H26N2.BrH/c1-2-3-4-5-6-7-8-9-12-17-13-10-15(16)11-14-17;/h10-11,13-14,16H,2-9,12H2,1H3;1H
InChIKeyXZQDEJNZYKZZER-UHFFFAOYSA-N
XLogP4.69
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-decylpyridin-4-imine;hydrobromide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-decylpyridin-4-imine;hydrobromide?
The IUPAC name of 1-decylpyridin-4-imine;hydrobromide (CID 16682221) is 1-decylpyridin-4-imine;hydrobromide.
What is the SMILES notation for 1-decylpyridin-4-imine;hydrobromide?
The canonical SMILES for 1-decylpyridin-4-imine;hydrobromide is Br.[H]N=c1ccn(CCCCCCCCCC)cc1.
What is the InChIKey of 1-decylpyridin-4-imine;hydrobromide?
The InChIKey is XZQDEJNZYKZZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2.BrH/c1-2-3-4-5-6-7-8-9-12-17-13-10-15(16)11-14-17;/h10-11,13-14,16H,2-9,12H2,1H3;1H.
What are the key properties of 1-decylpyridin-4-imine;hydrobromide?
1-decylpyridin-4-imine;hydrobromide has a molecular weight of 315.30 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylpyridin-4-imine;hydrobromide is sourced from PubChem (CID 16682221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).