azanium;2-tetradecylpyridine;bromide

C19H37BrN2 — CID 157411341

IUPACazanium;2-tetradecylpyridine;bromide
SMILESCCCCCCCCCCCCCCc1ccccn1.[Br-].[NH4+]
InChIInChI=1S/C19H33N.BrH.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20-19;;/h14-15,17-18H,2-13,16H2,1H3;1H;1H3
InChIKeyBOIAMIQXUHAIMS-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.71
Rot. Bonds13

About azanium;2-tetradecylpyridine;bromide

azanium;2-tetradecylpyridine;bromide (PubChem CID 157411341) has the molecular formula C19H37BrN2 and a molecular weight of 373.42 g/mol. Its IUPAC name is azanium;2-tetradecylpyridine;bromide.

Molecular Properties

Compound Nameazanium;2-tetradecylpyridine;bromide
PubChem CID157411341
Molecular FormulaC19H37BrN2
Molecular Weight373.42 g/mol
Exact Mass372.21
IUPAC Nameazanium;2-tetradecylpyridine;bromide
SMILESCCCCCCCCCCCCCCc1ccccn1.[Br-].[NH4+]
InChIInChI=1S/C19H33N.BrH.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20-19;;/h14-15,17-18H,2-13,16H2,1H3;1H;1H3
InChIKeyBOIAMIQXUHAIMS-UHFFFAOYSA-N
XLogP3.71
TPSA49.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-undecylpyridine
CID 66882765
2-tetradecylpyridine;hydrochloride
CID 45489746
2-hexadecylpyridine;hydrate
CID 141211108
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
hydroxymethanone;2-undecylpyridine;zinc
CID 87363330
2-hexylpyridine;nitric acid
CID 174876958
1-dodecylpyridin-1-ium;2-hexadecylpyridine
CID 175400834
2-(2-hexylsulfanylethyl)pyridine
CID 95562090
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240
2-(7-phenylheptyl)pyridine
CID 54510986
9-pyridin-2-ylnonan-1-ol
CID 12680899

Frequently Asked Questions

What is the IUPAC name of azanium;2-tetradecylpyridine;bromide?
The IUPAC name of azanium;2-tetradecylpyridine;bromide (CID 157411341) is azanium;2-tetradecylpyridine;bromide.
What is the SMILES notation for azanium;2-tetradecylpyridine;bromide?
The canonical SMILES for azanium;2-tetradecylpyridine;bromide is CCCCCCCCCCCCCCc1ccccn1.[Br-].[NH4+].
What is the InChIKey of azanium;2-tetradecylpyridine;bromide?
The InChIKey is BOIAMIQXUHAIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N.BrH.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20-19;;/h14-15,17-18H,2-13,16H2,1H3;1H;1H3.
What are the key properties of azanium;2-tetradecylpyridine;bromide?
azanium;2-tetradecylpyridine;bromide has a molecular weight of 373.42 g/mol, XLogP of 3.71, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;2-tetradecylpyridine;bromide is sourced from PubChem (CID 157411341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).