1-octylpyridin-4-imine;hydrobromide

C13H23BrN2 — CID 16682157

IUPAC1-octylpyridin-4-imine;hydrobromide
SMILESBr.[H]N=c1ccn(CCCCCCCC)cc1
InChIInChI=1S/C13H22N2.BrH/c1-2-3-4-5-6-7-10-15-11-8-13(14)9-12-15;/h8-9,11-12,14H,2-7,10H2,1H3;1H
InChIKeyQRURJWKZGCMJPL-UHFFFAOYSA-N
MW287.24 g/mol
LogP3.91
Rot. Bonds7

About 1-octylpyridin-4-imine;hydrobromide

1-octylpyridin-4-imine;hydrobromide (PubChem CID 16682157) has the molecular formula C13H23BrN2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 1-octylpyridin-4-imine;hydrobromide.

Molecular Properties

Compound Name1-octylpyridin-4-imine;hydrobromide
PubChem CID16682157
Molecular FormulaC13H23BrN2
Molecular Weight287.24 g/mol
Exact Mass286.10
IUPAC Name1-octylpyridin-4-imine;hydrobromide
SMILESBr.[H]N=c1ccn(CCCCCCCC)cc1
InChIInChI=1S/C13H22N2.BrH/c1-2-3-4-5-6-7-10-15-11-8-13(14)9-12-15;/h8-9,11-12,14H,2-7,10H2,1H3;1H
InChIKeyQRURJWKZGCMJPL-UHFFFAOYSA-N
XLogP3.91
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 53.91
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-octylpyridin-4-imine;hydrobromide?
The IUPAC name of 1-octylpyridin-4-imine;hydrobromide (CID 16682157) is 1-octylpyridin-4-imine;hydrobromide.
What is the SMILES notation for 1-octylpyridin-4-imine;hydrobromide?
The canonical SMILES for 1-octylpyridin-4-imine;hydrobromide is Br.[H]N=c1ccn(CCCCCCCC)cc1.
What is the InChIKey of 1-octylpyridin-4-imine;hydrobromide?
The InChIKey is QRURJWKZGCMJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.BrH/c1-2-3-4-5-6-7-10-15-11-8-13(14)9-12-15;/h8-9,11-12,14H,2-7,10H2,1H3;1H.
What are the key properties of 1-octylpyridin-4-imine;hydrobromide?
1-octylpyridin-4-imine;hydrobromide has a molecular weight of 287.24 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octylpyridin-4-imine;hydrobromide is sourced from PubChem (CID 16682157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).