dihexyl(dipropyl)azanium

C18H40N+ — CID 23088856

IUPACdihexyl(dipropyl)azanium
SMILESCCCCCC[N+](CCC)(CCC)CCCCCC
InChIInChI=1S/C18H40N/c1-5-9-11-13-17-19(15-7-3,16-8-4)18-14-12-10-6-2/h5-18H2,1-4H3/q+1
InChIKeyJCWIHQGUAVBVND-UHFFFAOYSA-N
MW270.52 g/mol
LogP5.78
Rot. Bonds14

About dihexyl(dipropyl)azanium

dihexyl(dipropyl)azanium (PubChem CID 23088856) has the molecular formula C18H40N+ and a molecular weight of 270.52 g/mol. Its IUPAC name is dihexyl(dipropyl)azanium.

Molecular Properties

Compound Namedihexyl(dipropyl)azanium
PubChem CID23088856
Molecular FormulaC18H40N+
Molecular Weight270.52 g/mol
Exact Mass270.32
IUPAC Namedihexyl(dipropyl)azanium
SMILESCCCCCC[N+](CCC)(CCC)CCCCCC
InChIInChI=1S/C18H40N/c1-5-9-11-13-17-19(15-7-3,16-8-4)18-14-12-10-6-2/h5-18H2,1-4H3/q+1
InChIKeyJCWIHQGUAVBVND-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.52
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

propyl-tri(tetradecyl)azanium
CID 22408967
hexadecyl-[4-[hexadecyl(dipropyl)azaniumyl]butyl]-dipropylazanium
CID 122218461
propyl-tri(undecyl)azanium
CID 54352857
didecyl(dipropyl)azanium chloride
CID 16747386
tripropyl(tetracosyl)azanium bromide
CID 153322910
dibutyl-hexadecyl-propylazanium
CID 87194483
dodecyl(tripropyl)azanium hydroxide
CID 19814016
trihexyl(nonyl)azanium
CID 87777679
pentyl-tri(tridecyl)azanium
CID 87897500
octyl-tri(pentadecyl)azanium
CID 87809127
dodecyl(triheptyl)azanium
CID 12049151
tri(heptadecyl)-octylazanium
CID 87809516

Frequently Asked Questions

What is the IUPAC name of dihexyl(dipropyl)azanium?
The IUPAC name of dihexyl(dipropyl)azanium (CID 23088856) is dihexyl(dipropyl)azanium.
What is the SMILES notation for dihexyl(dipropyl)azanium?
The canonical SMILES for dihexyl(dipropyl)azanium is CCCCCC[N+](CCC)(CCC)CCCCCC.
What is the InChIKey of dihexyl(dipropyl)azanium?
The InChIKey is JCWIHQGUAVBVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N/c1-5-9-11-13-17-19(15-7-3,16-8-4)18-14-12-10-6-2/h5-18H2,1-4H3/q+1.
What are the key properties of dihexyl(dipropyl)azanium?
dihexyl(dipropyl)azanium has a molecular weight of 270.52 g/mol, XLogP of 5.78, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl(dipropyl)azanium is sourced from PubChem (CID 23088856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).