3-(dodecylamino)propyl-trimethylazanium chloride

C18H41ClN2 — CID 166791709

IUPAC3-(dodecylamino)propyl-trimethylazanium chloride
SMILESCCCCCCCCCCCCNCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C18H41N2.ClH/c1-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(2,3)4;/h19H,5-18H2,1-4H3;1H/q+1;/p-1
InChIKeyDFDFZOOIRACTTB-UHFFFAOYSA-M
MW320.99 g/mol
LogP1.60
Rot. Bonds15

About 3-(dodecylamino)propyl-trimethylazanium chloride

3-(dodecylamino)propyl-trimethylazanium chloride (PubChem CID 166791709) has the molecular formula C18H41ClN2 and a molecular weight of 320.99 g/mol. Its IUPAC name is 3-(dodecylamino)propyl-trimethylazanium chloride.

Molecular Properties

Compound Name3-(dodecylamino)propyl-trimethylazanium chloride
PubChem CID166791709
Molecular FormulaC18H41ClN2
Molecular Weight320.99 g/mol
Exact Mass320.30
IUPAC Name3-(dodecylamino)propyl-trimethylazanium chloride
SMILESCCCCCCCCCCCCNCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C18H41N2.ClH/c1-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(2,3)4;/h19H,5-18H2,1-4H3;1H/q+1;/p-1
InChIKeyDFDFZOOIRACTTB-UHFFFAOYSA-M
XLogP1.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.99
LogP ≤ 51.60
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_2', 'substructure': 'N/A'}

Analyze 3-(dodecylamino)propyl-trimethylazanium chloride 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

6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride
CID 71315261
trimethyl-[3-(propylamino)propyl]azanium chloride
CID 172796424
dimethyl-[3-(octadecylamino)propyl]-tetradecylazanium
CID 141224619
3-(hexadecylamino)propyl-dimethyl-tetradecylazanium
CID 175110689
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
dopentacontyl(trimethyl)azanium chloride
CID 118223354
pentakis(decyl(trimethyl)azanium);pentachloride
CID 158242115
trimethyl(octyl)azanium chloride
CID 24949
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387
bis(trimethyl(octadecyl)azanium) dichloride
CID 139683023

Frequently Asked Questions

What is the IUPAC name of 3-(dodecylamino)propyl-trimethylazanium chloride?
The IUPAC name of 3-(dodecylamino)propyl-trimethylazanium chloride (CID 166791709) is 3-(dodecylamino)propyl-trimethylazanium chloride.
What is the SMILES notation for 3-(dodecylamino)propyl-trimethylazanium chloride?
The canonical SMILES for 3-(dodecylamino)propyl-trimethylazanium chloride is CCCCCCCCCCCCNCCC[N+](C)(C)C.[Cl-].
What is the InChIKey of 3-(dodecylamino)propyl-trimethylazanium chloride?
The InChIKey is DFDFZOOIRACTTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H41N2.ClH/c1-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(2,3)4;/h19H,5-18H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 3-(dodecylamino)propyl-trimethylazanium chloride?
3-(dodecylamino)propyl-trimethylazanium chloride has a molecular weight of 320.99 g/mol, XLogP of 1.60, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dodecylamino)propyl-trimethylazanium chloride is sourced from PubChem (CID 166791709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).