N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide

C18H35NO — CID 102116444

IUPACN-ethyl-N-oct-7-enyloct-7-en-1-amine oxide
SMILESC=CCCCCCC[N+]([O-])(CC)CCCCCCC=C
InChIInChI=1S/C18H35NO/c1-4-7-9-11-13-15-17-19(20,6-3)18-16-14-12-10-8-5-2/h4-5H,1-2,6-18H2,3H3
InChIKeyQBNJFKBYFJZBKW-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.59
Rot. Bonds15

About N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide

N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide (PubChem CID 102116444) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide.

Molecular Properties

Compound NameN-ethyl-N-oct-7-enyloct-7-en-1-amine oxide
PubChem CID102116444
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-ethyl-N-oct-7-enyloct-7-en-1-amine oxide
SMILESC=CCCCCCC[N+]([O-])(CC)CCCCCCC=C
InChIInChI=1S/C18H35NO/c1-4-7-9-11-13-15-17-19(20,6-3)18-16-14-12-10-8-5-2/h4-5H,1-2,6-18H2,3H3
InChIKeyQBNJFKBYFJZBKW-UHFFFAOYSA-N
XLogP5.59
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dec-9-enyl-ethyl-dimethylazanium
CID 129287044
dodecyl-hex-5-enyl-dimethylazanium
CID 14625828
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
bismuthane;oct-1-ene;sulfane
CID 174601016
N,N-diethylpentadecan-1-amine oxide
CID 19001167
octadec-1-ene;tetradec-1-ene
CID 158470925
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadecane;octadec-1-ene
CID 162018238

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide?
The IUPAC name of N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide (CID 102116444) is N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide.
What is the SMILES notation for N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide?
The canonical SMILES for N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide is C=CCCCCCC[N+]([O-])(CC)CCCCCCC=C.
What is the InChIKey of N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide?
The InChIKey is QBNJFKBYFJZBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-7-9-11-13-15-17-19(20,6-3)18-16-14-12-10-8-5-2/h4-5H,1-2,6-18H2,3H3.
What are the key properties of N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide?
N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide has a molecular weight of 281.48 g/mol, XLogP of 5.59, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide is sourced from PubChem (CID 102116444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).