trimethyl-[3-(propylamino)propyl]azanium chloride

C9H23ClN2 — CID 172796424

IUPACtrimethyl-[3-(propylamino)propyl]azanium chloride
SMILESCCCNCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H23N2.ClH/c1-5-7-10-8-6-9-11(2,3)4;/h10H,5-9H2,1-4H3;1H/q+1;/p-1
InChIKeyQGLZERMJMCNHGY-UHFFFAOYSA-M
MW194.75 g/mol
LogP-1.91
Rot. Bonds6

About trimethyl-[3-(propylamino)propyl]azanium chloride

trimethyl-[3-(propylamino)propyl]azanium chloride (PubChem CID 172796424) has the molecular formula C9H23ClN2 and a molecular weight of 194.75 g/mol. Its IUPAC name is trimethyl-[3-(propylamino)propyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[3-(propylamino)propyl]azanium chloride
PubChem CID172796424
Molecular FormulaC9H23ClN2
Molecular Weight194.75 g/mol
Exact Mass194.15
IUPAC Nametrimethyl-[3-(propylamino)propyl]azanium chloride
SMILESCCCNCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H23N2.ClH/c1-5-7-10-8-6-9-11(2,3)4;/h10H,5-9H2,1-4H3;1H/q+1;/p-1
InChIKeyQGLZERMJMCNHGY-UHFFFAOYSA-M
XLogP-1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.75
LogP ≤ 5-1.91
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'}

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Related Compounds

3-(dodecylamino)propyl-trimethylazanium chloride
CID 166791709
6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride
CID 71315261
3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium
CID 23598314
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819
12-(ethylamino)dodecyl-trimethylazanium
CID 90351711
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium
CID 102401794
trimethyl(octyl)azanium chloride
CID 24949
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
N-propylhexadecan-1-amine
CID 18792182

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(propylamino)propyl]azanium chloride?
The IUPAC name of trimethyl-[3-(propylamino)propyl]azanium chloride (CID 172796424) is trimethyl-[3-(propylamino)propyl]azanium chloride.
What is the SMILES notation for trimethyl-[3-(propylamino)propyl]azanium chloride?
The canonical SMILES for trimethyl-[3-(propylamino)propyl]azanium chloride is CCCNCCC[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[3-(propylamino)propyl]azanium chloride?
The InChIKey is QGLZERMJMCNHGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H23N2.ClH/c1-5-7-10-8-6-9-11(2,3)4;/h10H,5-9H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[3-(propylamino)propyl]azanium chloride?
trimethyl-[3-(propylamino)propyl]azanium chloride has a molecular weight of 194.75 g/mol, XLogP of -1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(propylamino)propyl]azanium chloride is sourced from PubChem (CID 172796424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).