2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium

C32H54N2+2 — CID 24865578

IUPAC2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium
SMILESCCCCCc1cccc[n+]1CCCCCCCCCCCC[n+]1ccccc1CCCCC
InChIInChI=1S/C32H54N2/c1-3-5-15-23-31-25-17-21-29-33(31)27-19-13-11-9-7-8-10-12-14-20-28-34-30-22-18-26-32(34)24-16-6-4-2/h17-18,21-22,25-26,29-30H,3-16,19-20,23-24,27-28H2,1-2H3/q+2
InChIKeyKALDARNTROMJNV-UHFFFAOYSA-N
MW466.80 g/mol
LogP8.33
Rot. Bonds21

About 2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium

2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium (PubChem CID 24865578) has the molecular formula C32H54N2+2 and a molecular weight of 466.80 g/mol. Its IUPAC name is 2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium.

Molecular Properties

Compound Name2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium
PubChem CID24865578
Molecular FormulaC32H54N2+2
Molecular Weight466.80 g/mol
Exact Mass466.43
IUPAC Name2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium
SMILESCCCCCc1cccc[n+]1CCCCCCCCCCCC[n+]1ccccc1CCCCC
InChIInChI=1S/C32H54N2/c1-3-5-15-23-31-25-17-21-29-33(31)27-19-13-11-9-7-8-10-12-14-20-28-34-30-22-18-26-32(34)24-16-6-4-2/h17-18,21-22,25-26,29-30H,3-16,19-20,23-24,27-28H2,1-2H3/q+2
InChIKeyKALDARNTROMJNV-UHFFFAOYSA-N
XLogP8.33
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.80
LogP ≤ 58.33
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'}

Analyze 2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hexadecyl-1-[10-(2-hexadecylpyridin-1-ium-1-yl)decyl]pyridin-1-ium
CID 101475531
2-octyl-1-[8-(2-octylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 102323866
2-decyl-1-[6-(2-decylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium dibromide
CID 175685303
1-decyl-2-octylpyridin-1-ium chloride
CID 67784709
1-butyl-2-hexylpyridin-1-ium
CID 69233068
2-butyl-1-dodecylpyridin-1-ium
CID 171570143
1-dodecyl-2-[3-(1-dodecylpyridin-1-ium-2-yl)propyl]pyridin-1-ium diiodide
CID 11007274
1-heptyl-2-propylpyridin-1-ium fluoride
CID 171570135
2-decyl-1-ethylpyridin-1-ium
CID 86100946
1-dodecyl-2-ethylpyridin-1-ium
CID 57483554
2-ethyl-1-hexylpyridin-1-ium fluoride
CID 171571226
1-butyl-2-propylpyridin-1-ium fluoride
CID 171569920

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium?
The IUPAC name of 2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium (CID 24865578) is 2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium.
What is the SMILES notation for 2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium?
The canonical SMILES for 2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium is CCCCCc1cccc[n+]1CCCCCCCCCCCC[n+]1ccccc1CCCCC.
What is the InChIKey of 2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium?
The InChIKey is KALDARNTROMJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54N2/c1-3-5-15-23-31-25-17-21-29-33(31)27-19-13-11-9-7-8-10-12-14-20-28-34-30-22-18-26-32(34)24-16-6-4-2/h17-18,21-22,25-26,29-30H,3-16,19-20,23-24,27-28H2,1-2H3/q+2.
What are the key properties of 2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium?
2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium has a molecular weight of 466.80 g/mol, XLogP of 8.33, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium is sourced from PubChem (CID 24865578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).