dodecyl(trimethyl)azanium;chloride;hydrochloride

C15H35Cl2N — CID 141284666

IUPACdodecyl(trimethyl)azanium;chloride;hydrochloride
SMILESCCCCCCCCCCCC[N+](C)(C)C.Cl.[Cl-]
InChIInChI=1S/C15H34N.2ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;/h5-15H2,1-4H3;2*1H/q+1;;/p-1
InChIKeyVXVYJCRDSZPUKX-UHFFFAOYSA-M
MW300.36 g/mol
LogP2.04
Rot. Bonds11

About dodecyl(trimethyl)azanium;chloride;hydrochloride

dodecyl(trimethyl)azanium;chloride;hydrochloride (PubChem CID 141284666) has the molecular formula C15H35Cl2N and a molecular weight of 300.36 g/mol. Its IUPAC name is dodecyl(trimethyl)azanium;chloride;hydrochloride.

Molecular Properties

Compound Namedodecyl(trimethyl)azanium;chloride;hydrochloride
PubChem CID141284666
Molecular FormulaC15H35Cl2N
Molecular Weight300.36 g/mol
Exact Mass299.21
IUPAC Namedodecyl(trimethyl)azanium;chloride;hydrochloride
SMILESCCCCCCCCCCCC[N+](C)(C)C.Cl.[Cl-]
InChIInChI=1S/C15H34N.2ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;/h5-15H2,1-4H3;2*1H/q+1;;/p-1
InChIKeyVXVYJCRDSZPUKX-UHFFFAOYSA-M
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

hexadecyl(trimethyl)azanium;chloride;hydrochloride
CID 141040318
dodecyl(trimethyl)azanium;phosphane;chloride;hydrochloride
CID 174651237
pentakis(decyl(trimethyl)azanium);pentachloride
CID 158242115
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387
dopentacontyl(trimethyl)azanium chloride
CID 118223354
trimethyl(octyl)azanium chloride
CID 24949
bis(trimethyl(octadecyl)azanium) dichloride
CID 139683023
sodium;hexadecyl(trimethyl)azanium;hydrochloride
CID 173057421
azane;trimethyl(tridecyl)azanium;chloride
CID 174706347

Frequently Asked Questions

What is the IUPAC name of dodecyl(trimethyl)azanium;chloride;hydrochloride?
The IUPAC name of dodecyl(trimethyl)azanium;chloride;hydrochloride (CID 141284666) is dodecyl(trimethyl)azanium;chloride;hydrochloride.
What is the SMILES notation for dodecyl(trimethyl)azanium;chloride;hydrochloride?
The canonical SMILES for dodecyl(trimethyl)azanium;chloride;hydrochloride is CCCCCCCCCCCC[N+](C)(C)C.Cl.[Cl-].
What is the InChIKey of dodecyl(trimethyl)azanium;chloride;hydrochloride?
The InChIKey is VXVYJCRDSZPUKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H34N.2ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;/h5-15H2,1-4H3;2*1H/q+1;;/p-1.
What are the key properties of dodecyl(trimethyl)azanium;chloride;hydrochloride?
dodecyl(trimethyl)azanium;chloride;hydrochloride has a molecular weight of 300.36 g/mol, XLogP of 2.04, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(trimethyl)azanium;chloride;hydrochloride is sourced from PubChem (CID 141284666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).