hexadecyl(trimethyl)azanium;chloride;hydrochloride

C19H43Cl2N — CID 141040318

IUPAChexadecyl(trimethyl)azanium;chloride;hydrochloride
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.Cl.[Cl-]
InChIInChI=1S/C19H42N.2ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;;/h5-19H2,1-4H3;2*1H/q+1;;/p-1
InChIKeyRMROEQIQPJPNPF-UHFFFAOYSA-M
MW356.47 g/mol
LogP3.60
Rot. Bonds15

About hexadecyl(trimethyl)azanium;chloride;hydrochloride

hexadecyl(trimethyl)azanium;chloride;hydrochloride (PubChem CID 141040318) has the molecular formula C19H43Cl2N and a molecular weight of 356.47 g/mol. Its IUPAC name is hexadecyl(trimethyl)azanium;chloride;hydrochloride.

Molecular Properties

Compound Namehexadecyl(trimethyl)azanium;chloride;hydrochloride
PubChem CID141040318
Molecular FormulaC19H43Cl2N
Molecular Weight356.47 g/mol
Exact Mass355.28
IUPAC Namehexadecyl(trimethyl)azanium;chloride;hydrochloride
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.Cl.[Cl-]
InChIInChI=1S/C19H42N.2ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;;/h5-19H2,1-4H3;2*1H/q+1;;/p-1
InChIKeyRMROEQIQPJPNPF-UHFFFAOYSA-M
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.60
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'}

Analyze hexadecyl(trimethyl)azanium;chloride;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dodecyl(trimethyl)azanium;chloride;hydrochloride
CID 141284666
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 hexadecyl(trimethyl)azanium;chloride;hydrochloride?
The IUPAC name of hexadecyl(trimethyl)azanium;chloride;hydrochloride (CID 141040318) is hexadecyl(trimethyl)azanium;chloride;hydrochloride.
What is the SMILES notation for hexadecyl(trimethyl)azanium;chloride;hydrochloride?
The canonical SMILES for hexadecyl(trimethyl)azanium;chloride;hydrochloride is CCCCCCCCCCCCCCCC[N+](C)(C)C.Cl.[Cl-].
What is the InChIKey of hexadecyl(trimethyl)azanium;chloride;hydrochloride?
The InChIKey is RMROEQIQPJPNPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H42N.2ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;;/h5-19H2,1-4H3;2*1H/q+1;;/p-1.
What are the key properties of hexadecyl(trimethyl)azanium;chloride;hydrochloride?
hexadecyl(trimethyl)azanium;chloride;hydrochloride has a molecular weight of 356.47 g/mol, XLogP of 3.60, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl(trimethyl)azanium;chloride;hydrochloride is sourced from PubChem (CID 141040318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).