azane;1-tetradecylpyridin-1-ium;bromide;hydrobromide

C19H38Br2N2 — CID 175324484

IUPACazane;1-tetradecylpyridin-1-ium;bromide;hydrobromide
SMILESBr.CCCCCCCCCCCCCC[n+]1ccccc1.N.[Br-]
InChIInChI=1S/C19H34N.2BrH.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;;;/h13,15-16,18-19H,2-12,14,17H2,1H3;2*1H;1H3/q+1;;;/p-1
InChIKeyMCWFWFCSZUJQSJ-UHFFFAOYSA-M
MW454.34 g/mol
LogP3.42
Rot. Bonds13

About azane;1-tetradecylpyridin-1-ium;bromide;hydrobromide

azane;1-tetradecylpyridin-1-ium;bromide;hydrobromide (PubChem CID 175324484) has the molecular formula C19H38Br2N2 and a molecular weight of 454.34 g/mol. Its IUPAC name is azane;1-tetradecylpyridin-1-ium;bromide;hydrobromide.

Molecular Properties

Compound Nameazane;1-tetradecylpyridin-1-ium;bromide;hydrobromide
PubChem CID175324484
Molecular FormulaC19H38Br2N2
Molecular Weight454.34 g/mol
Exact Mass452.14
IUPAC Nameazane;1-tetradecylpyridin-1-ium;bromide;hydrobromide
SMILESBr.CCCCCCCCCCCCCC[n+]1ccccc1.N.[Br-]
InChIInChI=1S/C19H34N.2BrH.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;;;/h13,15-16,18-19H,2-12,14,17H2,1H3;2*1H;1H3/q+1;;;/p-1
InChIKeyMCWFWFCSZUJQSJ-UHFFFAOYSA-M
XLogP3.42
TPSA38.88 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.34
LogP ≤ 53.42
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

tris(1-decylpyridin-1-ium);tribromide
CID 174755610
bis(1-octylpyridin-1-ium) dibromide
CID 159443545
1-tetradecylpyridin-1-ium;hydrobromide
CID 123133914
1-hexadecylpyridin-1-ium
CID 159475499
1-dodecylpyridin-1-ium;1-tetradecylpyridin-1-ium
CID 160827832
1-dodecylpyridin-1-ium
CID 7718
1-pentylpyridin-1-ium;trihydrobromide
CID 174936866
azane;1-docosylpyridin-1-ium;chloride;hydrochloride
CID 174856827
1-tridecylpyridin-1-ium iodide
CID 71429526
1-hexadecylpyridin-1-ium;sulfanide
CID 86272743
1-hexadecylpyridin-1-ium;hydrochloride
CID 22717447
disodium;1-hexadecylpyridin-1-ium
CID 67644127

Frequently Asked Questions

What is the IUPAC name of azane;1-tetradecylpyridin-1-ium;bromide;hydrobromide?
The IUPAC name of azane;1-tetradecylpyridin-1-ium;bromide;hydrobromide (CID 175324484) is azane;1-tetradecylpyridin-1-ium;bromide;hydrobromide.
What is the SMILES notation for azane;1-tetradecylpyridin-1-ium;bromide;hydrobromide?
The canonical SMILES for azane;1-tetradecylpyridin-1-ium;bromide;hydrobromide is Br.CCCCCCCCCCCCCC[n+]1ccccc1.N.[Br-].
What is the InChIKey of azane;1-tetradecylpyridin-1-ium;bromide;hydrobromide?
The InChIKey is MCWFWFCSZUJQSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H34N.2BrH.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;;;/h13,15-16,18-19H,2-12,14,17H2,1H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of azane;1-tetradecylpyridin-1-ium;bromide;hydrobromide?
azane;1-tetradecylpyridin-1-ium;bromide;hydrobromide has a molecular weight of 454.34 g/mol, XLogP of 3.42, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-tetradecylpyridin-1-ium;bromide;hydrobromide is sourced from PubChem (CID 175324484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).