1-(dimethylamino)ethyl-dimethyl-octylazanium

C14H33N2+ — CID 19845025

IUPAC1-(dimethylamino)ethyl-dimethyl-octylazanium
SMILESCCCCCCCC[N+](C)(C)C(C)N(C)C
InChIInChI=1S/C14H33N2/c1-7-8-9-10-11-12-13-16(5,6)14(2)15(3)4/h14H,7-13H2,1-6H3/q+1
InChIKeyDBWCXEOZJNGXQP-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.33
Rot. Bonds9

About 1-(dimethylamino)ethyl-dimethyl-octylazanium

1-(dimethylamino)ethyl-dimethyl-octylazanium (PubChem CID 19845025) has the molecular formula C14H33N2+ and a molecular weight of 229.43 g/mol. Its IUPAC name is 1-(dimethylamino)ethyl-dimethyl-octylazanium.

Molecular Properties

Compound Name1-(dimethylamino)ethyl-dimethyl-octylazanium
PubChem CID19845025
Molecular FormulaC14H33N2+
Molecular Weight229.43 g/mol
Exact Mass229.26
IUPAC Name1-(dimethylamino)ethyl-dimethyl-octylazanium
SMILESCCCCCCCC[N+](C)(C)C(C)N(C)C
InChIInChI=1S/C14H33N2/c1-7-8-9-10-11-12-13-16(5,6)14(2)15(3)4/h14H,7-13H2,1-6H3/q+1
InChIKeyDBWCXEOZJNGXQP-UHFFFAOYSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-octyl-propan-2-ylazanium chloride
CID 162517722
decyl-dimethyl-pentadecan-2-ylazanium
CID 88599864
decan-2-yl-dimethyl-pentadecylazanium
CID 87697488
heptadecan-2-yl-hexadecyl-dimethylazanium
CID 175181629
1-hydroxyethyl-dimethyl-octylazanium chloride
CID 18625157
1,2-dihydroxypropyl-dodecyl-dimethylazanium
CID 170558264
hexadecan-2-yl-hexadecyl-dimethylazanium chloride
CID 141338407
decyl-(3-hydroxytridecan-2-yl)-dimethylazanium
CID 88739553
1-carboxyethyl-dodecyl-dimethylazanium
CID 19028565
but-3-en-2-yl-dodecyl-dimethylazanium
CID 87468419
dimethyl-octadecyl-octan-3-ylazanium
CID 22995160
dimethyl-nonacosan-13-yl-octadecylazanium chloride
CID 176902314

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethyl-dimethyl-octylazanium?
The IUPAC name of 1-(dimethylamino)ethyl-dimethyl-octylazanium (CID 19845025) is 1-(dimethylamino)ethyl-dimethyl-octylazanium.
What is the SMILES notation for 1-(dimethylamino)ethyl-dimethyl-octylazanium?
The canonical SMILES for 1-(dimethylamino)ethyl-dimethyl-octylazanium is CCCCCCCC[N+](C)(C)C(C)N(C)C.
What is the InChIKey of 1-(dimethylamino)ethyl-dimethyl-octylazanium?
The InChIKey is DBWCXEOZJNGXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N2/c1-7-8-9-10-11-12-13-16(5,6)14(2)15(3)4/h14H,7-13H2,1-6H3/q+1.
What are the key properties of 1-(dimethylamino)ethyl-dimethyl-octylazanium?
1-(dimethylamino)ethyl-dimethyl-octylazanium has a molecular weight of 229.43 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethyl-dimethyl-octylazanium is sourced from PubChem (CID 19845025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).