2-(dimethylamino)ethyl-dimethyl-octylazanium

C14H33N2+ — CID 14625803

IUPAC2-(dimethylamino)ethyl-dimethyl-octylazanium
SMILESCCCCCCCC[N+](C)(C)CCN(C)C
InChIInChI=1S/C14H33N2/c1-6-7-8-9-10-11-13-16(4,5)14-12-15(2)3/h6-14H2,1-5H3/q+1
InChIKeyGTTBHQJFLZRDPW-UHFFFAOYSA-N
MW229.43 g/mol
LogP2.98
Rot. Bonds10

About 2-(dimethylamino)ethyl-dimethyl-octylazanium

2-(dimethylamino)ethyl-dimethyl-octylazanium (PubChem CID 14625803) has the molecular formula C14H33N2+ and a molecular weight of 229.43 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl-dimethyl-octylazanium.

Molecular Properties

Compound Name2-(dimethylamino)ethyl-dimethyl-octylazanium
PubChem CID14625803
Molecular FormulaC14H33N2+
Molecular Weight229.43 g/mol
Exact Mass229.26
IUPAC Name2-(dimethylamino)ethyl-dimethyl-octylazanium
SMILESCCCCCCCC[N+](C)(C)CCN(C)C
InChIInChI=1S/C14H33N2/c1-6-7-8-9-10-11-13-16(4,5)14-12-15(2)3/h6-14H2,1-5H3/q+1
InChIKeyGTTBHQJFLZRDPW-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'}

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Related Compounds

2-(dimethylamino)ethyl-icosyl-dimethylazanium
CID 72947262
6-(dimethylamino)hexyl-dodecyl-dimethylazanium
CID 86012356
2-[2-[dimethyl(tridecyl)azaniumyl]ethyl-methylamino]ethyl-dimethyl-tridecylazanium
CID 175684926
dodecyl-[2-[dodecyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;methane
CID 167611622
hexadecyl-[2-[hexadecyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;methane
CID 167589722
dodecyl-[2-[2-[2-[dodecyl(dimethyl)azaniumyl]ethyl-methylamino]ethyl-methylamino]ethyl]-dimethylazanium dibromide
CID 118721070
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
dodecyl-dimethyl-undecylazanium
CID 21491028
decyl-dimethyl-tetradecylazanium
CID 13075680
heptyl-dimethyl-undecylazanium
CID 122480849

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl-dimethyl-octylazanium?
The IUPAC name of 2-(dimethylamino)ethyl-dimethyl-octylazanium (CID 14625803) is 2-(dimethylamino)ethyl-dimethyl-octylazanium.
What is the SMILES notation for 2-(dimethylamino)ethyl-dimethyl-octylazanium?
The canonical SMILES for 2-(dimethylamino)ethyl-dimethyl-octylazanium is CCCCCCCC[N+](C)(C)CCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl-dimethyl-octylazanium?
The InChIKey is GTTBHQJFLZRDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N2/c1-6-7-8-9-10-11-13-16(4,5)14-12-15(2)3/h6-14H2,1-5H3/q+1.
What are the key properties of 2-(dimethylamino)ethyl-dimethyl-octylazanium?
2-(dimethylamino)ethyl-dimethyl-octylazanium 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 2-(dimethylamino)ethyl-dimethyl-octylazanium is sourced from PubChem (CID 14625803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).