butyl(tetradecyl)azanium chloride

C18H40ClN — CID 20788665

IUPACbutyl(tetradecyl)azanium chloride
SMILESCCCCCCCCCCCCCC[NH2+]CCCC.[Cl-]
InChIInChI=1S/C18H39N.ClH/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-17-6-4-2;/h19H,3-18H2,1-2H3;1H
InChIKeyTVUOAVYKYUTRPJ-UHFFFAOYSA-N
MW305.98 g/mol
LogP2.06
Rot. Bonds16

About butyl(tetradecyl)azanium chloride

butyl(tetradecyl)azanium chloride (PubChem CID 20788665) has the molecular formula C18H40ClN and a molecular weight of 305.98 g/mol. Its IUPAC name is butyl(tetradecyl)azanium chloride.

Molecular Properties

Compound Namebutyl(tetradecyl)azanium chloride
PubChem CID20788665
Molecular FormulaC18H40ClN
Molecular Weight305.98 g/mol
Exact Mass305.28
IUPAC Namebutyl(tetradecyl)azanium chloride
SMILESCCCCCCCCCCCCCC[NH2+]CCCC.[Cl-]
InChIInChI=1S/C18H39N.ClH/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-17-6-4-2;/h19H,3-18H2,1-2H3;1H
InChIKeyTVUOAVYKYUTRPJ-UHFFFAOYSA-N
XLogP2.06
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.98
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl(dodecyl)azanium
CID 91941247
azanium;dioctadecylazanium;dichloride
CID 172767895
didodecylazanium fluoride
CID 87135434
dioctadecylazanium tetrafluoroborate
CID 140565722
ethyl(tridecyl)azanium iodide
CID 88651524
2-hydroxyethyl(nonyl)azanium iodide
CID 175684966
decyl-[6-(decylazaniumyl)hexyl]-dimethylazanium
CID 131700914
undecane chloride
CID 19736895
dibutylazanium hexafluorophosphate
CID 23620950
tert-butyl-[2-(hexylazaniumyl)ethyl]azanium
CID 7172003
[chloro(dimethyl)silyl]methyl-tridecylazanium chloride
CID 153404341
butyl(5-carboxypentyl)azanium
CID 145146425

Frequently Asked Questions

What is the IUPAC name of butyl(tetradecyl)azanium chloride?
The IUPAC name of butyl(tetradecyl)azanium chloride (CID 20788665) is butyl(tetradecyl)azanium chloride.
What is the SMILES notation for butyl(tetradecyl)azanium chloride?
The canonical SMILES for butyl(tetradecyl)azanium chloride is CCCCCCCCCCCCCC[NH2+]CCCC.[Cl-].
What is the InChIKey of butyl(tetradecyl)azanium chloride?
The InChIKey is TVUOAVYKYUTRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.ClH/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-17-6-4-2;/h19H,3-18H2,1-2H3;1H.
What are the key properties of butyl(tetradecyl)azanium chloride?
butyl(tetradecyl)azanium chloride has a molecular weight of 305.98 g/mol, XLogP of 2.06, 16 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(tetradecyl)azanium chloride is sourced from PubChem (CID 20788665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).