dodecylazanium;hydrochloride

C12H29ClN+ — CID 22568612

IUPACdodecylazanium;hydrochloride
SMILESCCCCCCCCCCCC[NH3+].Cl
InChIInChI=1S/C12H27N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-13H2,1H3;1H/p+1
InChIKeyTWFQJFPTTMIETC-UHFFFAOYSA-O
MW222.82 g/mol
LogP3.57
Rot. Bonds10

About dodecylazanium;hydrochloride

dodecylazanium;hydrochloride (PubChem CID 22568612) has the molecular formula C12H29ClN+ and a molecular weight of 222.82 g/mol. Its IUPAC name is dodecylazanium;hydrochloride.

Molecular Properties

Compound Namedodecylazanium;hydrochloride
PubChem CID22568612
Molecular FormulaC12H29ClN+
Molecular Weight222.82 g/mol
Exact Mass222.20
IUPAC Namedodecylazanium;hydrochloride
SMILESCCCCCCCCCCCC[NH3+].Cl
InChIInChI=1S/C12H27N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-13H2,1H3;1H/p+1
InChIKeyTWFQJFPTTMIETC-UHFFFAOYSA-O
XLogP3.57
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.82
LogP ≤ 53.57
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

tris(octadecylazanium);tribromide
CID 141071881
undecylazanium bromide
CID 87480687
tetratriacontylazanium bromide
CID 141191350
tridecylazanium;chloride;hydrate
CID 139080710
dodecylazanium;bromide;hydrate
CID 139078665
dodecylazanium tetrafluoroborate
CID 141181929
bis(heptane);hydrochloride
CID 160833718
icosane;tetrahydrochloride
CID 143212018
pentacosane;hydrochloride
CID 172714496
nonadecane;hydrochloride
CID 172821128
octylazanium;carbonate
CID 141329834
iminomethylideneazanide;bis(pentadecylazanium)
CID 156625536

Frequently Asked Questions

What is the IUPAC name of dodecylazanium;hydrochloride?
The IUPAC name of dodecylazanium;hydrochloride (CID 22568612) is dodecylazanium;hydrochloride.
What is the SMILES notation for dodecylazanium;hydrochloride?
The canonical SMILES for dodecylazanium;hydrochloride is CCCCCCCCCCCC[NH3+].Cl.
What is the InChIKey of dodecylazanium;hydrochloride?
The InChIKey is TWFQJFPTTMIETC-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H27N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-13H2,1H3;1H/p+1.
What are the key properties of dodecylazanium;hydrochloride?
dodecylazanium;hydrochloride has a molecular weight of 222.82 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylazanium;hydrochloride is sourced from PubChem (CID 22568612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).