1-nonan-3-yl-2-propan-2-ylpyridin-1-ium

C17H30N+ — CID 54158139

IUPAC1-nonan-3-yl-2-propan-2-ylpyridin-1-ium
SMILESCCCCCCC(CC)[n+]1ccccc1C(C)C
InChIInChI=1S/C17H30N/c1-5-7-8-9-12-16(6-2)18-14-11-10-13-17(18)15(3)4/h10-11,13-16H,5-9,12H2,1-4H3/q+1
InChIKeyOMMXYYBLTQQLGR-UHFFFAOYSA-N
MW248.43 g/mol
LogP5.02
Rot. Bonds8

About 1-nonan-3-yl-2-propan-2-ylpyridin-1-ium

1-nonan-3-yl-2-propan-2-ylpyridin-1-ium (PubChem CID 54158139) has the molecular formula C17H30N+ and a molecular weight of 248.43 g/mol. Its IUPAC name is 1-nonan-3-yl-2-propan-2-ylpyridin-1-ium.

Molecular Properties

Compound Name1-nonan-3-yl-2-propan-2-ylpyridin-1-ium
PubChem CID54158139
Molecular FormulaC17H30N+
Molecular Weight248.43 g/mol
Exact Mass248.24
IUPAC Name1-nonan-3-yl-2-propan-2-ylpyridin-1-ium
SMILESCCCCCCC(CC)[n+]1ccccc1C(C)C
InChIInChI=1S/C17H30N/c1-5-7-8-9-12-16(6-2)18-14-11-10-13-17(18)15(3)4/h10-11,13-16H,5-9,12H2,1-4H3/q+1
InChIKeyOMMXYYBLTQQLGR-UHFFFAOYSA-N
XLogP5.02
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.43
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-nonan-3-yl-2-propan-2-ylpyridin-1-ium bromide
CID 70607353
1-octacosan-13-ylpyridin-1-ium
CID 69393150
1-heptacosan-13-ylpyridin-1-ium
CID 69395893
1-tetracosan-8-ylpyridin-1-ium
CID 69387406
1-tricosan-6-ylpyridin-1-ium
CID 69386357
1-(1-chlorododecan-2-yl)quinolin-1-ium chloride
CID 18529280
azane;1-octadecan-9-ylpyridin-1-ium;chloride
CID 173073424
1-ethyl-4-(1-octan-3-ylpyridin-1-ium-4-yl)pyridin-1-ium
CID 140856551
(1-bromo-2-methylnonyl)benzene
CID 104846505
1-anilinohexadecan-1-ol
CID 173133122
3-ethylundecylbenzene
CID 101046196
1-phenylheptylphosphane
CID 174874892

Frequently Asked Questions

What is the IUPAC name of 1-nonan-3-yl-2-propan-2-ylpyridin-1-ium?
The IUPAC name of 1-nonan-3-yl-2-propan-2-ylpyridin-1-ium (CID 54158139) is 1-nonan-3-yl-2-propan-2-ylpyridin-1-ium.
What is the SMILES notation for 1-nonan-3-yl-2-propan-2-ylpyridin-1-ium?
The canonical SMILES for 1-nonan-3-yl-2-propan-2-ylpyridin-1-ium is CCCCCCC(CC)[n+]1ccccc1C(C)C.
What is the InChIKey of 1-nonan-3-yl-2-propan-2-ylpyridin-1-ium?
The InChIKey is OMMXYYBLTQQLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N/c1-5-7-8-9-12-16(6-2)18-14-11-10-13-17(18)15(3)4/h10-11,13-16H,5-9,12H2,1-4H3/q+1.
What are the key properties of 1-nonan-3-yl-2-propan-2-ylpyridin-1-ium?
1-nonan-3-yl-2-propan-2-ylpyridin-1-ium has a molecular weight of 248.43 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonan-3-yl-2-propan-2-ylpyridin-1-ium is sourced from PubChem (CID 54158139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).