1-dodecylpyridin-4-imine;hydrobromide

C17H31BrN2 — CID 16682136

IUPAC1-dodecylpyridin-4-imine;hydrobromide
SMILESBr.[H]N=c1ccn(CCCCCCCCCCCC)cc1
InChIInChI=1S/C17H30N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-17(18)13-16-19;/h12-13,15-16,18H,2-11,14H2,1H3;1H
InChIKeyANXKJACJVUEQOC-UHFFFAOYSA-N
MW343.35 g/mol
LogP5.47
Rot. Bonds11

About 1-dodecylpyridin-4-imine;hydrobromide

1-dodecylpyridin-4-imine;hydrobromide (PubChem CID 16682136) has the molecular formula C17H31BrN2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-dodecylpyridin-4-imine;hydrobromide.

Molecular Properties

Compound Name1-dodecylpyridin-4-imine;hydrobromide
PubChem CID16682136
Molecular FormulaC17H31BrN2
Molecular Weight343.35 g/mol
Exact Mass342.17
IUPAC Name1-dodecylpyridin-4-imine;hydrobromide
SMILESBr.[H]N=c1ccn(CCCCCCCCCCCC)cc1
InChIInChI=1S/C17H30N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-17(18)13-16-19;/h12-13,15-16,18H,2-11,14H2,1H3;1H
InChIKeyANXKJACJVUEQOC-UHFFFAOYSA-N
XLogP5.47
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-dodecylpyridin-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-dodecylpyridin-4-imine;hydrobromide?
The IUPAC name of 1-dodecylpyridin-4-imine;hydrobromide (CID 16682136) is 1-dodecylpyridin-4-imine;hydrobromide.
What is the SMILES notation for 1-dodecylpyridin-4-imine;hydrobromide?
The canonical SMILES for 1-dodecylpyridin-4-imine;hydrobromide is Br.[H]N=c1ccn(CCCCCCCCCCCC)cc1.
What is the InChIKey of 1-dodecylpyridin-4-imine;hydrobromide?
The InChIKey is ANXKJACJVUEQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-17(18)13-16-19;/h12-13,15-16,18H,2-11,14H2,1H3;1H.
What are the key properties of 1-dodecylpyridin-4-imine;hydrobromide?
1-dodecylpyridin-4-imine;hydrobromide has a molecular weight of 343.35 g/mol, XLogP of 5.47, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylpyridin-4-imine;hydrobromide is sourced from PubChem (CID 16682136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).