6-(diethylamino)hexyl-ethyl-dimethylazanium

C14H33N2+ — CID 123147852

IUPAC6-(diethylamino)hexyl-ethyl-dimethylazanium
SMILESCCN(CC)CCCCCC[N+](C)(C)CC
InChIInChI=1S/C14H33N2/c1-6-15(7-2)13-11-9-10-12-14-16(4,5)8-3/h6-14H2,1-5H3/q+1
InChIKeyPUEHHUHPCSTSJV-UHFFFAOYSA-N
MW229.43 g/mol
LogP2.98
Rot. Bonds10

About 6-(diethylamino)hexyl-ethyl-dimethylazanium

6-(diethylamino)hexyl-ethyl-dimethylazanium (PubChem CID 123147852) has the molecular formula C14H33N2+ and a molecular weight of 229.43 g/mol. Its IUPAC name is 6-(diethylamino)hexyl-ethyl-dimethylazanium.

Molecular Properties

Compound Name6-(diethylamino)hexyl-ethyl-dimethylazanium
PubChem CID123147852
Molecular FormulaC14H33N2+
Molecular Weight229.43 g/mol
Exact Mass229.26
IUPAC Name6-(diethylamino)hexyl-ethyl-dimethylazanium
SMILESCCN(CC)CCCCCC[N+](C)(C)CC
InChIInChI=1S/C14H33N2/c1-6-15(7-2)13-11-9-10-12-14-16(4,5)8-3/h6-14H2,1-5H3/q+1
InChIKeyPUEHHUHPCSTSJV-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
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 6-(diethylamino)hexyl-ethyl-dimethylazanium 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

ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 25995
ethyl-[6-[2-[6-[2-[6-[2-[6-[2-[6-[ethyl(dimethyl)azaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium
CID 101017980
6-(diethylamino)hexyl-diethyl-hexylazanium
CID 10960194
dodecyl-ethyl-dimethylazanium;hydrate
CID 175307815
bis[10-(dimethylamino)decyl]-dimethylazanium;ethane
CID 163265198
dimethyl(dioctadecyl)azanium;dodecyl-ethyl-dimethylazanium;dibromide
CID 175504473
N',N'-diethylnonane-1,9-diamine
CID 22055140
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N,N-diethyl-5-ethylsulfanylpentan-1-amine
CID 154243338
ethyl-hexadecyl-dimethylazanium hexafluorophosphate
CID 140503012
ethyl-dimethyl-(16-methylheptadecyl)azanium
CID 11965084
7-(diethylamino)heptan-2-ol
CID 168866586

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)hexyl-ethyl-dimethylazanium?
The IUPAC name of 6-(diethylamino)hexyl-ethyl-dimethylazanium (CID 123147852) is 6-(diethylamino)hexyl-ethyl-dimethylazanium.
What is the SMILES notation for 6-(diethylamino)hexyl-ethyl-dimethylazanium?
The canonical SMILES for 6-(diethylamino)hexyl-ethyl-dimethylazanium is CCN(CC)CCCCCC[N+](C)(C)CC.
What is the InChIKey of 6-(diethylamino)hexyl-ethyl-dimethylazanium?
The InChIKey is PUEHHUHPCSTSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N2/c1-6-15(7-2)13-11-9-10-12-14-16(4,5)8-3/h6-14H2,1-5H3/q+1.
What are the key properties of 6-(diethylamino)hexyl-ethyl-dimethylazanium?
6-(diethylamino)hexyl-ethyl-dimethylazanium has a molecular weight of 229.43 g/mol, XLogP of 2.98, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)hexyl-ethyl-dimethylazanium is sourced from PubChem (CID 123147852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).