heptyl(tripentyl)azanium

C22H48N+ — CID 87447622

IUPACheptyl(tripentyl)azanium
SMILESCCCCCCC[N+](CCCCC)(CCCCC)CCCCC
InChIInChI=1S/C22H48N/c1-5-9-13-14-18-22-23(19-15-10-6-2,20-16-11-7-3)21-17-12-8-4/h5-22H2,1-4H3/q+1
InChIKeyVTQINSVRDATHQY-UHFFFAOYSA-N
MW326.63 g/mol
LogP7.34
Rot. Bonds18

About heptyl(tripentyl)azanium

heptyl(tripentyl)azanium (PubChem CID 87447622) has the molecular formula C22H48N+ and a molecular weight of 326.63 g/mol. Its IUPAC name is heptyl(tripentyl)azanium.

Molecular Properties

Compound Nameheptyl(tripentyl)azanium
PubChem CID87447622
Molecular FormulaC22H48N+
Molecular Weight326.63 g/mol
Exact Mass326.38
IUPAC Nameheptyl(tripentyl)azanium
SMILESCCCCCCC[N+](CCCCC)(CCCCC)CCCCC
InChIInChI=1S/C22H48N/c1-5-9-13-14-18-22-23(19-15-10-6-2,20-16-11-7-3)21-17-12-8-4/h5-22H2,1-4H3/q+1
InChIKeyVTQINSVRDATHQY-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.63
LogP ≤ 57.34
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
dodecyl(triheptyl)azanium
CID 12049151
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
trihexyl-[12-(trihexylazaniumyl)dodecyl]azanium
CID 11297032

Frequently Asked Questions

What is the IUPAC name of heptyl(tripentyl)azanium?
The IUPAC name of heptyl(tripentyl)azanium (CID 87447622) is heptyl(tripentyl)azanium.
What is the SMILES notation for heptyl(tripentyl)azanium?
The canonical SMILES for heptyl(tripentyl)azanium is CCCCCCC[N+](CCCCC)(CCCCC)CCCCC.
What is the InChIKey of heptyl(tripentyl)azanium?
The InChIKey is VTQINSVRDATHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N/c1-5-9-13-14-18-22-23(19-15-10-6-2,20-16-11-7-3)21-17-12-8-4/h5-22H2,1-4H3/q+1.
What are the key properties of heptyl(tripentyl)azanium?
heptyl(tripentyl)azanium has a molecular weight of 326.63 g/mol, XLogP of 7.34, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl(tripentyl)azanium is sourced from PubChem (CID 87447622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).