dodecyl(triheptyl)azanium

C33H70N+ — CID 12049151

IUPACdodecyl(triheptyl)azanium
SMILESCCCCCCCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC
InChIInChI=1S/C33H70N/c1-5-9-13-17-18-19-20-21-25-29-33-34(30-26-22-14-10-6-2,31-27-23-15-11-7-3)32-28-24-16-12-8-4/h5-33H2,1-4H3/q+1
InChIKeyADZLSWICIHCBKY-UHFFFAOYSA-N
MW480.93 g/mol
LogP11.64
Rot. Bonds29

About dodecyl(triheptyl)azanium

dodecyl(triheptyl)azanium (PubChem CID 12049151) has the molecular formula C33H70N+ and a molecular weight of 480.93 g/mol. Its IUPAC name is dodecyl(triheptyl)azanium.

Molecular Properties

Compound Namedodecyl(triheptyl)azanium
PubChem CID12049151
Molecular FormulaC33H70N+
Molecular Weight480.93 g/mol
Exact Mass480.55
IUPAC Namedodecyl(triheptyl)azanium
SMILESCCCCCCCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC
InChIInChI=1S/C33H70N/c1-5-9-13-17-18-19-20-21-25-29-33-34(30-26-22-14-10-6-2,31-27-23-15-11-7-3)32-28-24-16-12-8-4/h5-33H2,1-4H3/q+1
InChIKeyADZLSWICIHCBKY-UHFFFAOYSA-N
XLogP11.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.93
LogP ≤ 511.64
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

octyl-tri(pentadecyl)azanium
CID 87809127
trihexyl(nonyl)azanium
CID 87777679
tri(heptadecyl)-octylazanium
CID 87809516
pentyl-tri(tridecyl)azanium
CID 87897500
decyl-tri(undecyl)azanium
CID 87810629
octadecyl-tri(undecyl)azanium
CID 87811974
hexadecyl(trihexyl)azanium
CID 19021069
heptyl-tri(undecyl)azanium
CID 87808112
tridodecyl(pentadecyl)azanium
CID 87808406
tetradecyl-tri(tridecyl)azanium
CID 87805804
heptyl(tripentyl)azanium
CID 87447622
trihexyl-[12-(trihexylazaniumyl)dodecyl]azanium
CID 11297032

Frequently Asked Questions

What is the IUPAC name of dodecyl(triheptyl)azanium?
The IUPAC name of dodecyl(triheptyl)azanium (CID 12049151) is dodecyl(triheptyl)azanium.
What is the SMILES notation for dodecyl(triheptyl)azanium?
The canonical SMILES for dodecyl(triheptyl)azanium is CCCCCCCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.
What is the InChIKey of dodecyl(triheptyl)azanium?
The InChIKey is ADZLSWICIHCBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H70N/c1-5-9-13-17-18-19-20-21-25-29-33-34(30-26-22-14-10-6-2,31-27-23-15-11-7-3)32-28-24-16-12-8-4/h5-33H2,1-4H3/q+1.
What are the key properties of dodecyl(triheptyl)azanium?
dodecyl(triheptyl)azanium has a molecular weight of 480.93 g/mol, XLogP of 11.64, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(triheptyl)azanium is sourced from PubChem (CID 12049151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).