6-(diethylamino)hexyl-diethyl-hexylazanium

C20H45N2+ — CID 10960194

IUPAC6-(diethylamino)hexyl-diethyl-hexylazanium
SMILESCCCCCC[N+](CC)(CC)CCCCCCN(CC)CC
InChIInChI=1S/C20H45N2/c1-6-11-12-16-19-22(9-4,10-5)20-17-14-13-15-18-21(7-2)8-3/h6-20H2,1-5H3/q+1
InChIKeyJNBYNXQQRXODPC-UHFFFAOYSA-N
MW313.59 g/mol
LogP5.33
Rot. Bonds16

About 6-(diethylamino)hexyl-diethyl-hexylazanium

6-(diethylamino)hexyl-diethyl-hexylazanium (PubChem CID 10960194) has the molecular formula C20H45N2+ and a molecular weight of 313.59 g/mol. Its IUPAC name is 6-(diethylamino)hexyl-diethyl-hexylazanium.

Molecular Properties

Compound Name6-(diethylamino)hexyl-diethyl-hexylazanium
PubChem CID10960194
Molecular FormulaC20H45N2+
Molecular Weight313.59 g/mol
Exact Mass313.36
IUPAC Name6-(diethylamino)hexyl-diethyl-hexylazanium
SMILESCCCCCC[N+](CC)(CC)CCCCCCN(CC)CC
InChIInChI=1S/C20H45N2/c1-6-11-12-16-19-22(9-4,10-5)20-17-14-13-15-18-21(7-2)8-3/h6-20H2,1-5H3/q+1
InChIKeyJNBYNXQQRXODPC-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.59
LogP ≤ 55.33
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

dodecyl-[8-[dodecyl(diethyl)azaniumyl]octyl]-diethylazanium
CID 102081750
diethyl-di(pentadecyl)azanium
CID 14009104
diethyl-di(icosyl)azanium
CID 14009114
diethyl(dioctyl)azanium fluoride
CID 19602103
diethyl-heptyl-octylazanium bromide
CID 88763250
didodecyl(diethyl)azanium hydroxide
CID 87834319
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
diethyl(dipentyl)azanium bromide
CID 87777355
triethyl(tetradecyl)azanium
CID 28911
didecyl-ethyl-octylazanium
CID 172694602
2-bromoethyl-diethyl-hexadecylazanium
CID 14625474
6-(diethylamino)hexyl-ethyl-dimethylazanium
CID 123147852

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)hexyl-diethyl-hexylazanium?
The IUPAC name of 6-(diethylamino)hexyl-diethyl-hexylazanium (CID 10960194) is 6-(diethylamino)hexyl-diethyl-hexylazanium.
What is the SMILES notation for 6-(diethylamino)hexyl-diethyl-hexylazanium?
The canonical SMILES for 6-(diethylamino)hexyl-diethyl-hexylazanium is CCCCCC[N+](CC)(CC)CCCCCCN(CC)CC.
What is the InChIKey of 6-(diethylamino)hexyl-diethyl-hexylazanium?
The InChIKey is JNBYNXQQRXODPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45N2/c1-6-11-12-16-19-22(9-4,10-5)20-17-14-13-15-18-21(7-2)8-3/h6-20H2,1-5H3/q+1.
What are the key properties of 6-(diethylamino)hexyl-diethyl-hexylazanium?
6-(diethylamino)hexyl-diethyl-hexylazanium has a molecular weight of 313.59 g/mol, XLogP of 5.33, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)hexyl-diethyl-hexylazanium is sourced from PubChem (CID 10960194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).