Elronon

C19H23ClN2O — CID 21086

IUPACdimethyl-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxyethyl]azanium chloride
SMILESC[NH+](C)CCON=C1C2=CC=CC=C2CCC3=CC=CC=C31.[Cl-]
InChIInChI=1S/C19H22N2O.ClH/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19;/h3-10H,11-14H2,1-2H3;1H
InChIKeyJIKBYFBMUAUPJS-UHFFFAOYSA-N
MW330.80 g/mol
LogP—
Rot. Bonds4

About Elronon

Elronon (PubChem CID 21086) has the molecular formula C19H23ClN2O and a molecular weight of 330.80 g/mol. Its IUPAC name is dimethyl-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxyethyl]azanium chloride.

Molecular Properties

Compound NameElronon
PubChem CID21086
Molecular FormulaC19H23ClN2O
Molecular Weight330.80 g/mol
Exact Mass330.15
IUPAC Namedimethyl-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxyethyl]azanium chloride
SMILESC[NH+](C)CCON=C1C2=CC=CC=C2CCC3=CC=CC=C31.[Cl-]
InChIInChI=1S/C19H22N2O.ClH/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19;/h3-10H,11-14H2,1-2H3;1H
InChIKeyJIKBYFBMUAUPJS-UHFFFAOYSA-N
XLogP—
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity354

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Demexiptiline
CID 28876
Noxiptiline
CID 21087
5H-Dibenzo(a,d)cyclohepten-5-one O-(2-(methylamino)ethyl)oxime hydrochloride
CID 28875
Mariptiline
CID 44203
N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine
CID 21483811
2-(benzhydrylideneamino)oxy-N-methylethanamine
CID 87200783
5H-Dibenzo(a,d)cyclohepten-5-one, O-(2-(dimethylamino)ethyl)oxime, monohydrochloride
CID 28873
5H-Dibenzo(a,d)cyclohepten-5-one, O-(2-morpholinoethyl)oxime, monohydrochloride
CID 32488
5H-Dibenzo(a,d)cyclohepten-5-one, 3-methyl-, O-(2-(dimethylamino)ethyl)oxime, monohydrochloride
CID 32951
5H-Dibenzo(a,d)cyclohepten-5-one, O-(2-(diethylamino)ethyl)oxime, monohydrochloride
CID 32955
5H-Dibenzo(a,d)cyclohepten-5-one, O-(2-(1-pyrrolidinyl)ethyl)oxime, monohydrochloride
CID 32957
5H-Dibenzo(a,d)cyclohepten-5-one, O-(3-(dimethylamino)propyl)oxime, dihydrochloride
CID 32959

Frequently Asked Questions

What is the IUPAC name of Elronon?
The IUPAC name of Elronon (CID 21086) is dimethyl-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxyethyl]azanium chloride.
What is the SMILES notation for Elronon?
The canonical SMILES for Elronon is C[NH+](C)CCON=C1C2=CC=CC=C2CCC3=CC=CC=C31.[Cl-].
What is the InChIKey of Elronon?
The InChIKey is JIKBYFBMUAUPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.ClH/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19;/h3-10H,11-14H2,1-2H3;1H.
What are the key properties of Elronon?
Elronon has a molecular weight of 330.80 g/mol, XLogP of not available, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Elronon is sourced from PubChem (CID 21086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).