propyl-tri(undecyl)azanium

C36H76N+ — CID 54352857

IUPACpropyl-tri(undecyl)azanium
SMILESCCCCCCCCCCC[N+](CCC)(CCCCCCCCCCC)CCCCCCCCCCC
InChIInChI=1S/C36H76N/c1-5-9-12-15-18-21-24-27-30-34-37(33-8-4,35-31-28-25-22-19-16-13-10-6-2)36-32-29-26-23-20-17-14-11-7-3/h5-36H2,1-4H3/q+1
InChIKeyUGZQDPZFABUGTC-UHFFFAOYSA-N
MW523.01 g/mol
LogP12.81
Rot. Bonds32

About propyl-tri(undecyl)azanium

propyl-tri(undecyl)azanium (PubChem CID 54352857) has the molecular formula C36H76N+ and a molecular weight of 523.01 g/mol. Its IUPAC name is propyl-tri(undecyl)azanium.

Molecular Properties

Compound Namepropyl-tri(undecyl)azanium
PubChem CID54352857
Molecular FormulaC36H76N+
Molecular Weight523.01 g/mol
Exact Mass522.60
IUPAC Namepropyl-tri(undecyl)azanium
SMILESCCCCCCCCCCC[N+](CCC)(CCCCCCCCCCC)CCCCCCCCCCC
InChIInChI=1S/C36H76N/c1-5-9-12-15-18-21-24-27-30-34-37(33-8-4,35-31-28-25-22-19-16-13-10-6-2)36-32-29-26-23-20-17-14-11-7-3/h5-36H2,1-4H3/q+1
InChIKeyUGZQDPZFABUGTC-UHFFFAOYSA-N
XLogP12.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.01
LogP ≤ 512.81
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
dihexyl(dipropyl)azanium
CID 23088856
hexadecyl-[4-[hexadecyl(dipropyl)azaniumyl]butyl]-dipropylazanium
CID 122218461
dibutyl-hexadecyl-propylazanium
CID 87194483
didecyl(dipropyl)azanium chloride
CID 16747386
tripropyl(tetracosyl)azanium bromide
CID 153322910
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 propyl-tri(undecyl)azanium?
The IUPAC name of propyl-tri(undecyl)azanium (CID 54352857) is propyl-tri(undecyl)azanium.
What is the SMILES notation for propyl-tri(undecyl)azanium?
The canonical SMILES for propyl-tri(undecyl)azanium is CCCCCCCCCCC[N+](CCC)(CCCCCCCCCCC)CCCCCCCCCCC.
What is the InChIKey of propyl-tri(undecyl)azanium?
The InChIKey is UGZQDPZFABUGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H76N/c1-5-9-12-15-18-21-24-27-30-34-37(33-8-4,35-31-28-25-22-19-16-13-10-6-2)36-32-29-26-23-20-17-14-11-7-3/h5-36H2,1-4H3/q+1.
What are the key properties of propyl-tri(undecyl)azanium?
propyl-tri(undecyl)azanium has a molecular weight of 523.01 g/mol, XLogP of 12.81, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propyl-tri(undecyl)azanium is sourced from PubChem (CID 54352857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).