5-pyridin-1-ium-1-ylpentan-1-amine

C10H17N2+ — CID 23422842

IUPAC5-pyridin-1-ium-1-ylpentan-1-amine
SMILESNCCCCC[n+]1ccccc1
InChIInChI=1S/C10H17N2/c11-7-3-1-4-8-12-9-5-2-6-10-12/h2,5-6,9-10H,1,3-4,7-8,11H2/q+1
InChIKeyXLNPBSYBGCTQGX-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.10
Rot. Bonds5

About 5-pyridin-1-ium-1-ylpentan-1-amine

5-pyridin-1-ium-1-ylpentan-1-amine (PubChem CID 23422842) has the molecular formula C10H17N2+ and a molecular weight of 165.26 g/mol. Its IUPAC name is 5-pyridin-1-ium-1-ylpentan-1-amine.

Molecular Properties

Compound Name5-pyridin-1-ium-1-ylpentan-1-amine
PubChem CID23422842
Molecular FormulaC10H17N2+
Molecular Weight165.26 g/mol
Exact Mass165.14
IUPAC Name5-pyridin-1-ium-1-ylpentan-1-amine
SMILESNCCCCC[n+]1ccccc1
InChIInChI=1S/C10H17N2/c11-7-3-1-4-8-12-9-5-2-6-10-12/h2,5-6,9-10H,1,3-4,7-8,11H2/q+1
InChIKeyXLNPBSYBGCTQGX-UHFFFAOYSA-N
XLogP1.10
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.10
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-dodecylpyridin-1-ium
CID 7718
1-hexadecylpyridin-1-ium;methanamine;chloride
CID 173138894
benzene;hexane-1,6-diamine
CID 159264392
perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium
CID 126957010
1-hexadecylpyridin-1-ium;sulfanide
CID 86272743
1-[6-(6-pyridin-1-ium-1-ylhexyldisulfanyl)hexyl]pyridin-1-ium
CID 177413781
1-tetradecylpyridin-1-ium;hydrobromide
CID 123133914
1-hexadecylpyridin-1-ium;hydrochloride
CID 22717447
bis(1-octylpyridin-1-ium) dibromide
CID 159443545
disodium;1-hexadecylpyridin-1-ium
CID 67644127
1-dodecylpyridin-1-ium;iodide;dihydroiodide
CID 173462449
16-[3-[11-[1-(16-aminohexadecyl)pyridin-1-ium-3-yl]undecyl]pyridin-1-ium-1-yl]hexadecan-1-amine
CID 24752806

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-1-ium-1-ylpentan-1-amine?
The IUPAC name of 5-pyridin-1-ium-1-ylpentan-1-amine (CID 23422842) is 5-pyridin-1-ium-1-ylpentan-1-amine.
What is the SMILES notation for 5-pyridin-1-ium-1-ylpentan-1-amine?
The canonical SMILES for 5-pyridin-1-ium-1-ylpentan-1-amine is NCCCCC[n+]1ccccc1.
What is the InChIKey of 5-pyridin-1-ium-1-ylpentan-1-amine?
The InChIKey is XLNPBSYBGCTQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2/c11-7-3-1-4-8-12-9-5-2-6-10-12/h2,5-6,9-10H,1,3-4,7-8,11H2/q+1.
What are the key properties of 5-pyridin-1-ium-1-ylpentan-1-amine?
5-pyridin-1-ium-1-ylpentan-1-amine has a molecular weight of 165.26 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-1-ium-1-ylpentan-1-amine is sourced from PubChem (CID 23422842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).