1-decylpyridin-1-ium-4-amine bromide

C15H27BrN2 — CID 44656372

IUPAC1-decylpyridin-1-ium-4-amine bromide
SMILESCCCCCCCCCC[n+]1ccc(N)cc1.[Br-]
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
LogP0.70
Rot. Bonds9

About 1-decylpyridin-1-ium-4-amine bromide

1-decylpyridin-1-ium-4-amine bromide (PubChem CID 44656372) has the molecular formula C15H27BrN2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-decylpyridin-1-ium-4-amine bromide.

Molecular Properties

Compound Name1-decylpyridin-1-ium-4-amine bromide
PubChem CID44656372
Molecular FormulaC15H27BrN2
Molecular Weight315.30 g/mol
Exact Mass314.14
IUPAC Name1-decylpyridin-1-ium-4-amine bromide
SMILESCCCCCCCCCC[n+]1ccc(N)cc1.[Br-]
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
XLogP0.70
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-dodecyl-4-(1-dodecylpyridin-1-ium-4-yl)pyridin-1-ium bromide
CID 54607465
1-tetradecyl-4-[1-[4-[4-(1-tetradecylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 102224171
1-propylpyridin-1-ium-4-amine bromide
CID 13073422
1-butyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium
CID 102190926
1-butyl-4-(1-octadecylpyridin-1-ium-4-yl)pyridin-1-ium
CID 70694251
4-propan-2-yl-1-tridecylpyridin-1-ium
CID 69404783
4-propan-2-yl-1-undecylpyridin-1-ium
CID 69406935
tris(1-decylpyridin-1-ium);tribromide
CID 174755610
bis(1-octylpyridin-1-ium) dibromide
CID 159443545
1-heptyl-4-pentadecylpyridin-1-ium
CID 69392456
4-decyl-1-heptylpyridin-1-ium
CID 69386084
4-hexyl-1-pentylpyridin-1-ium
CID 69396587

Frequently Asked Questions

What is the IUPAC name of 1-decylpyridin-1-ium-4-amine bromide?
The IUPAC name of 1-decylpyridin-1-ium-4-amine bromide (CID 44656372) is 1-decylpyridin-1-ium-4-amine bromide.
What is the SMILES notation for 1-decylpyridin-1-ium-4-amine bromide?
The canonical SMILES for 1-decylpyridin-1-ium-4-amine bromide is CCCCCCCCCC[n+]1ccc(N)cc1.[Br-].
What is the InChIKey of 1-decylpyridin-1-ium-4-amine bromide?
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-1-ium-4-amine bromide?
1-decylpyridin-1-ium-4-amine bromide has a molecular weight of 315.30 g/mol, XLogP of 0.70, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylpyridin-1-ium-4-amine bromide is sourced from PubChem (CID 44656372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).