triethyl(3-phenylpropyl)azanium

C15H26N+ — CID 54135056

IUPACtriethyl(3-phenylpropyl)azanium
SMILESCC[N+](CC)(CC)CCCc1ccccc1
InChIInChI=1S/C15H26N/c1-4-16(5-2,6-3)14-10-13-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3/q+1
InChIKeyNXCGORFGROUVLU-UHFFFAOYSA-N
MW220.38 g/mol
LogP3.50
Rot. Bonds7

About triethyl(3-phenylpropyl)azanium

triethyl(3-phenylpropyl)azanium (PubChem CID 54135056) has the molecular formula C15H26N+ and a molecular weight of 220.38 g/mol. Its IUPAC name is triethyl(3-phenylpropyl)azanium.

Molecular Properties

Compound Nametriethyl(3-phenylpropyl)azanium
PubChem CID54135056
Molecular FormulaC15H26N+
Molecular Weight220.38 g/mol
Exact Mass220.21
IUPAC Nametriethyl(3-phenylpropyl)azanium
SMILESCC[N+](CC)(CC)CCCc1ccccc1
InChIInChI=1S/C15H26N/c1-4-16(5-2,6-3)14-10-13-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3/q+1
InChIKeyNXCGORFGROUVLU-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

diethyl-hexyl-(3-phenylpropyl)azanium bromide
CID 12951746
triethyl-[3-[4-[4-[3-(triethylazaniumyl)propyl]phenyl]phenyl]propyl]azanium
CID 19907432
trihexyl(3-phenylpropyl)azanium hydroxide
CID 175394701
triethyl-[6-[4-[6-(triethylazaniumyl)hexyl]phenyl]hexyl]azanium dichloride
CID 19907413
acetic acid;triethyl(2-phenylethyl)azanium
CID 174760523
benzyl-ethyl-[2-(methylamino)ethyl]-(4-phenylbutyl)azanium
CID 178134620
ethyl-dimethyl-(4-phenylbutyl)azanium
CID 12951677
dodecylbenzene;sulfane
CID 20560423
butylbenzene;hydroxylamine
CID 175142403
4-phenylbutylbenzene
CID 141301927
hexadecyl-dimethyl-(3-phenylpropyl)azanium
CID 71351064
benzyl-diethyl-octylazanium bromide
CID 71430300

Frequently Asked Questions

What is the IUPAC name of triethyl(3-phenylpropyl)azanium?
The IUPAC name of triethyl(3-phenylpropyl)azanium (CID 54135056) is triethyl(3-phenylpropyl)azanium.
What is the SMILES notation for triethyl(3-phenylpropyl)azanium?
The canonical SMILES for triethyl(3-phenylpropyl)azanium is CC[N+](CC)(CC)CCCc1ccccc1.
What is the InChIKey of triethyl(3-phenylpropyl)azanium?
The InChIKey is NXCGORFGROUVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N/c1-4-16(5-2,6-3)14-10-13-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3/q+1.
What are the key properties of triethyl(3-phenylpropyl)azanium?
triethyl(3-phenylpropyl)azanium has a molecular weight of 220.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(3-phenylpropyl)azanium is sourced from PubChem (CID 54135056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).