diethyl(6-phenoxyhexyl)azanium

C16H28NO+ — CID 2057301

IUPACdiethyl(6-phenoxyhexyl)azanium
SMILESCC[NH+](CC)CCCCCCOc1ccccc1
InChIInChI=1S/C16H27NO/c1-3-17(4-2)14-10-5-6-11-15-18-16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3/p+1
InChIKeyDHWRSIZXAHTDLF-UHFFFAOYSA-O
MW250.41 g/mol
LogP2.55
Rot. Bonds10

About diethyl(6-phenoxyhexyl)azanium

diethyl(6-phenoxyhexyl)azanium (PubChem CID 2057301) has the molecular formula C16H28NO+ and a molecular weight of 250.41 g/mol. Its IUPAC name is diethyl(6-phenoxyhexyl)azanium.

Molecular Properties

Compound Namediethyl(6-phenoxyhexyl)azanium
PubChem CID2057301
Molecular FormulaC16H28NO+
Molecular Weight250.41 g/mol
Exact Mass250.22
IUPAC Namediethyl(6-phenoxyhexyl)azanium
SMILESCC[NH+](CC)CCCCCCOc1ccccc1
InChIInChI=1S/C16H27NO/c1-3-17(4-2)14-10-5-6-11-15-18-16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3/p+1
InChIKeyDHWRSIZXAHTDLF-UHFFFAOYSA-O
XLogP2.55
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diethyl-[4-(3-phenoxyphenoxy)butyl]azanium
CID 2232638
diethyl-[5-(4-fluorophenoxy)pentyl]azanium
CID 2248117
dibutyl(3-phenoxypropyl)azanium
CID 140631674
pentoxybenzene;undecane
CID 174778179
3-(4-bromophenoxy)propyl-diethylazanium
CID 2057944
ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
ethene;nonoxybenzene;phenoxybenzene
CID 174749747
N-ethyl-5-phenoxypentan-1-amine
CID 54394184
ethane-1,2-diol;ethanol;octoxybenzene
CID 175008384
2-dodecoxyethoxybenzene
CID 67831231

Frequently Asked Questions

What is the IUPAC name of diethyl(6-phenoxyhexyl)azanium?
The IUPAC name of diethyl(6-phenoxyhexyl)azanium (CID 2057301) is diethyl(6-phenoxyhexyl)azanium.
What is the SMILES notation for diethyl(6-phenoxyhexyl)azanium?
The canonical SMILES for diethyl(6-phenoxyhexyl)azanium is CC[NH+](CC)CCCCCCOc1ccccc1.
What is the InChIKey of diethyl(6-phenoxyhexyl)azanium?
The InChIKey is DHWRSIZXAHTDLF-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H27NO/c1-3-17(4-2)14-10-5-6-11-15-18-16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3/p+1.
What are the key properties of diethyl(6-phenoxyhexyl)azanium?
diethyl(6-phenoxyhexyl)azanium has a molecular weight of 250.41 g/mol, XLogP of 2.55, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(6-phenoxyhexyl)azanium is sourced from PubChem (CID 2057301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).