1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide

C15H22Br2N4 — CID 138811091

IUPAC1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide
SMILESNc1cccc[n+]1CCCCC[n+]1ccccc1N.[Br-].[Br-]
InChIInChI=1S/C15H20N4.2BrH/c16-14-8-2-6-12-18(14)10-4-1-5-11-19-13-7-3-9-15(19)17;;/h2-3,6-9,12-13,16-17H,1,4-5,10-11H2;2*1H
InChIKeyKPIGTGLSWKPOCM-UHFFFAOYSA-N
MW418.18 g/mol
LogP-4.70
Rot. Bonds6

About 1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide

1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide (PubChem CID 138811091) has the molecular formula C15H22Br2N4 and a molecular weight of 418.18 g/mol. Its IUPAC name is 1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide.

Molecular Properties

Compound Name1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide
PubChem CID138811091
Molecular FormulaC15H22Br2N4
Molecular Weight418.18 g/mol
Exact Mass416.02
IUPAC Name1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide
SMILESNc1cccc[n+]1CCCCC[n+]1ccccc1N.[Br-].[Br-]
InChIInChI=1S/C15H20N4.2BrH/c16-14-8-2-6-12-18(14)10-4-1-5-11-19-13-7-3-9-15(19)17;;/h2-3,6-9,12-13,16-17H,1,4-5,10-11H2;2*1H
InChIKeyKPIGTGLSWKPOCM-UHFFFAOYSA-N
XLogP-4.70
TPSA59.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.18
LogP ≤ 5-4.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-hexylpyridin-1-ium-2-amine
CID 12924167
1-(8-quinolin-1-ium-1-yloctyl)quinolin-1-ium dibromide
CID 54581375
2-methyl-1-[8-(2-methylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 11455659
1-(11-quinolin-1-ium-1-ylundecyl)quinolin-1-ium
CID 11238482
1-[8-(2-amino-4-methylpyridin-1-ium-1-yl)octyl]-4-methylpyridin-1-ium-2-amine dibromide
CID 24741725
1-[12-(2-amino-5-phenylpyridin-1-ium-1-yl)dodecyl]-5-phenylpyridin-1-ium-2-amine diiodide
CID 24740298
1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide
CID 162265577
2-(2-aminopyridin-1-ium-1-yl)acetamide
CID 174791987
2-methyl-1-[3-(2-methylpyridin-1-ium-1-yl)propyl]pyridin-1-ium dibromide
CID 12598864
1-(8-pyridin-1-ium-1-yloctyl)quinolin-1-ium
CID 72724908
2-decyl-1-[6-(2-decylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium dibromide
CID 175685303
1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine
CID 10842005

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide?
The IUPAC name of 1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide (CID 138811091) is 1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide.
What is the SMILES notation for 1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide?
The canonical SMILES for 1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide is Nc1cccc[n+]1CCCCC[n+]1ccccc1N.[Br-].[Br-].
What is the InChIKey of 1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide?
The InChIKey is KPIGTGLSWKPOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4.2BrH/c16-14-8-2-6-12-18(14)10-4-1-5-11-19-13-7-3-9-15(19)17;;/h2-3,6-9,12-13,16-17H,1,4-5,10-11H2;2*1H.
What are the key properties of 1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide?
1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide has a molecular weight of 418.18 g/mol, XLogP of -4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide is sourced from PubChem (CID 138811091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).