trimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium

C15H30N2O2 — CID 131666135

IUPACtrimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium
SMILESC[N+](C)(C)CCCCCCCCCCC(=O)/C=N/[O-]
InChIInChI=1S/C15H30N2O2/c1-17(2,3)13-11-9-7-5-4-6-8-10-12-15(18)14-16-19/h14H,4-13H2,1-3H3
InChIKeyYBZXMBANRNNLBI-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.34
Rot. Bonds12

About trimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium

trimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium (PubChem CID 131666135) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is trimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium
PubChem CID131666135
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametrimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium
SMILESC[N+](C)(C)CCCCCCCCCCC(=O)/C=N/[O-]
InChIInChI=1S/C15H30N2O2/c1-17(2,3)13-11-9-7-5-4-6-8-10-12-15(18)14-16-19/h14H,4-13H2,1-3H3
InChIKeyYBZXMBANRNNLBI-UHFFFAOYSA-N
XLogP3.34
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', '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

[(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium
CID 6412547
14-(trimethylazaniumyl)tetradecanoate
CID 172851889
16-(trimethylazaniumyl)hexadecanoate
CID 172771890
6-carboxyhexyl(trimethyl)azanium
CID 70691026
(14-chloro-14-oxotetradecyl)-trimethylazanium
CID 177226605
trimethyl-[11-oxo-11-(2-sulfanylethylamino)undecyl]azanium
CID 101009162
hexanoate;trimethyl(nonyl)azanium
CID 139992279
(6-methoxy-6-oxohexyl)-trimethylazanium
CID 139671551
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
bis(trimethyl(tetradecyl)azanium);carbonate
CID 118467100
bis(hexadecyl(trimethyl)azanium);carbonate
CID 15617077
trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride
CID 159451714

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium?
The IUPAC name of trimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium (CID 131666135) is trimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium.
What is the SMILES notation for trimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium?
The canonical SMILES for trimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium is C[N+](C)(C)CCCCCCCCCCC(=O)/C=N/[O-].
What is the InChIKey of trimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium?
The InChIKey is YBZXMBANRNNLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-17(2,3)13-11-9-7-5-4-6-8-10-12-15(18)14-16-19/h14H,4-13H2,1-3H3.
What are the key properties of trimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium?
trimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium has a molecular weight of 270.42 g/mol, XLogP of 3.34, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium is sourced from PubChem (CID 131666135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).