1-hexylpyridin-4-imine;hydrobromide

C11H19BrN2 — CID 6603240

IUPAC1-hexylpyridin-4-imine;hydrobromide
SMILESBr.[H]N=c1ccn(CCCCCC)cc1
InChIInChI=1S/C11H18N2.BrH/c1-2-3-4-5-8-13-9-6-11(12)7-10-13;/h6-7,9-10,12H,2-5,8H2,1H3;1H
InChIKeyLSWPDXUFUPYICY-UHFFFAOYSA-N
MW259.19 g/mol
LogP3.13
Rot. Bonds5

About 1-hexylpyridin-4-imine;hydrobromide

1-hexylpyridin-4-imine;hydrobromide (PubChem CID 6603240) has the molecular formula C11H19BrN2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 1-hexylpyridin-4-imine;hydrobromide.

Molecular Properties

Compound Name1-hexylpyridin-4-imine;hydrobromide
PubChem CID6603240
Molecular FormulaC11H19BrN2
Molecular Weight259.19 g/mol
Exact Mass258.07
IUPAC Name1-hexylpyridin-4-imine;hydrobromide
SMILESBr.[H]N=c1ccn(CCCCCC)cc1
InChIInChI=1S/C11H18N2.BrH/c1-2-3-4-5-8-13-9-6-11(12)7-10-13;/h6-7,9-10,12H,2-5,8H2,1H3;1H
InChIKeyLSWPDXUFUPYICY-UHFFFAOYSA-N
XLogP3.13
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 53.13
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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Related Compounds

1-Octyl-1H-pyridin-4-ylideneamine
CID 16682157
1-Heptyl-1H-pyridin-4-ylideneamine
CID 9551797
1-Nonyl-1H-pyridin-4-ylideneamine
CID 16682142
1-Decyl-1H-pyridin-4-ylideneamine
CID 16682221
1-dodecylpyridin-4(1H)-imine
CID 1878823
1-pentylpyridin-4(1H)-imine hydroiodide
CID 6603239
1-Dodecyl-1H-pyridin-4-ylideneamine
CID 16682136
1-[4-(4-Imino-1-pyridinyl)butyl]pyridin-4-imine;dihydrobromide
CID 13408443
1-[6-(4-Imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide
CID 13408445
1-[8-(4-Imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide
CID 13408447
1-[9-(4-Imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide
CID 13408449
N,1-diheptylpyridin-4-imine;hydrobromide
CID 14198630

Frequently Asked Questions

What is the IUPAC name of 1-hexylpyridin-4-imine;hydrobromide?
The IUPAC name of 1-hexylpyridin-4-imine;hydrobromide (CID 6603240) is 1-hexylpyridin-4-imine;hydrobromide.
What is the SMILES notation for 1-hexylpyridin-4-imine;hydrobromide?
The canonical SMILES for 1-hexylpyridin-4-imine;hydrobromide is Br.[H]N=c1ccn(CCCCCC)cc1.
What is the InChIKey of 1-hexylpyridin-4-imine;hydrobromide?
The InChIKey is LSWPDXUFUPYICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.BrH/c1-2-3-4-5-8-13-9-6-11(12)7-10-13;/h6-7,9-10,12H,2-5,8H2,1H3;1H.
What are the key properties of 1-hexylpyridin-4-imine;hydrobromide?
1-hexylpyridin-4-imine;hydrobromide has a molecular weight of 259.19 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylpyridin-4-imine;hydrobromide is sourced from PubChem (CID 6603240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).