1-nonylpyridin-4-imine;hydrobromide

C14H25BrN2 — CID 16682142

IUPAC1-nonylpyridin-4-imine;hydrobromide
SMILESBr.[H]N=c1ccn(CCCCCCCCC)cc1
InChIInChI=1S/C14H24N2.BrH/c1-2-3-4-5-6-7-8-11-16-12-9-14(15)10-13-16;/h9-10,12-13,15H,2-8,11H2,1H3;1H
InChIKeyUVSFJHNXSTYDAA-UHFFFAOYSA-N
MW301.27 g/mol
LogP4.30
Rot. Bonds8

About 1-nonylpyridin-4-imine;hydrobromide

1-nonylpyridin-4-imine;hydrobromide (PubChem CID 16682142) has the molecular formula C14H25BrN2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 1-nonylpyridin-4-imine;hydrobromide.

Molecular Properties

Compound Name1-nonylpyridin-4-imine;hydrobromide
PubChem CID16682142
Molecular FormulaC14H25BrN2
Molecular Weight301.27 g/mol
Exact Mass300.12
IUPAC Name1-nonylpyridin-4-imine;hydrobromide
SMILESBr.[H]N=c1ccn(CCCCCCCCC)cc1
InChIInChI=1S/C14H24N2.BrH/c1-2-3-4-5-6-7-8-11-16-12-9-14(15)10-13-16;/h9-10,12-13,15H,2-8,11H2,1H3;1H
InChIKeyUVSFJHNXSTYDAA-UHFFFAOYSA-N
XLogP4.30
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-nonylpyridin-4-imine;hydrobromide?
The IUPAC name of 1-nonylpyridin-4-imine;hydrobromide (CID 16682142) is 1-nonylpyridin-4-imine;hydrobromide.
What is the SMILES notation for 1-nonylpyridin-4-imine;hydrobromide?
The canonical SMILES for 1-nonylpyridin-4-imine;hydrobromide is Br.[H]N=c1ccn(CCCCCCCCC)cc1.
What is the InChIKey of 1-nonylpyridin-4-imine;hydrobromide?
The InChIKey is UVSFJHNXSTYDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.BrH/c1-2-3-4-5-6-7-8-11-16-12-9-14(15)10-13-16;/h9-10,12-13,15H,2-8,11H2,1H3;1H.
What are the key properties of 1-nonylpyridin-4-imine;hydrobromide?
1-nonylpyridin-4-imine;hydrobromide has a molecular weight of 301.27 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylpyridin-4-imine;hydrobromide is sourced from PubChem (CID 16682142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).