2-dodecylpyridin-1-ium-1-amine

C17H31N2+ — CID 175382542

IUPAC2-dodecylpyridin-1-ium-1-amine
SMILESCCCCCCCCCCCCc1cccc[n+]1N
InChIInChI=1S/C17H31N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-19(17)18/h12-13,15-16H,2-11,14,18H2,1H3/q+1
InChIKeyRVKNQPURRQTILJ-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.15
Rot. Bonds11

About 2-dodecylpyridin-1-ium-1-amine

2-dodecylpyridin-1-ium-1-amine (PubChem CID 175382542) has the molecular formula C17H31N2+ and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-dodecylpyridin-1-ium-1-amine.

Molecular Properties

Compound Name2-dodecylpyridin-1-ium-1-amine
PubChem CID175382542
Molecular FormulaC17H31N2+
Molecular Weight263.45 g/mol
Exact Mass263.25
IUPAC Name2-dodecylpyridin-1-ium-1-amine
SMILESCCCCCCCCCCCCc1cccc[n+]1N
InChIInChI=1S/C17H31N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-19(17)18/h12-13,15-16H,2-11,14,18H2,1H3/q+1
InChIKeyRVKNQPURRQTILJ-UHFFFAOYSA-N
XLogP4.15
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.15
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-methyl-2-tetradecylpyridin-1-ium bromide
CID 57359904
2-decyl-1-ethylpyridin-1-ium
CID 86100946
1-butyl-2-hexylpyridin-1-ium
CID 69233068
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-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium
CID 24865578
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
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
2-dodecyl-1-(2-methylprop-2-enyl)pyridin-1-ium
CID 155211369
1-prop-2-enyl-2-tetradecylpyridin-1-ium bromide
CID 70630635

Frequently Asked Questions

What is the IUPAC name of 2-dodecylpyridin-1-ium-1-amine?
The IUPAC name of 2-dodecylpyridin-1-ium-1-amine (CID 175382542) is 2-dodecylpyridin-1-ium-1-amine.
What is the SMILES notation for 2-dodecylpyridin-1-ium-1-amine?
The canonical SMILES for 2-dodecylpyridin-1-ium-1-amine is CCCCCCCCCCCCc1cccc[n+]1N.
What is the InChIKey of 2-dodecylpyridin-1-ium-1-amine?
The InChIKey is RVKNQPURRQTILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-19(17)18/h12-13,15-16H,2-11,14,18H2,1H3/q+1.
What are the key properties of 2-dodecylpyridin-1-ium-1-amine?
2-dodecylpyridin-1-ium-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylpyridin-1-ium-1-amine is sourced from PubChem (CID 175382542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).