N-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide

C19H21NO — CID 11737551

IUPACN-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide
SMILESC/C(c1cc2ccc1CCc1ccc(cc1)CC2)=[N+](/C)[O-]
InChIInChI=1S/C19H21NO/c1-14(20(2)21)19-13-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h3-6,10,12-13H,7-9,11H2,1-2H3/b20-14+
InChIKeyNVSPJOYNYOFFQG-XSFVSMFZSA-N
MW279.38 g/mol
LogP3.52
Rot. Bonds1

About N-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide

N-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide (PubChem CID 11737551) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide.

Molecular Properties

Compound NameN-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide
PubChem CID11737551
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide
SMILESC/C(c1cc2ccc1CCc1ccc(cc1)CC2)=[N+](/C)[O-]
InChIInChI=1S/C19H21NO/c1-14(20(2)21)19-13-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h3-6,10,12-13H,7-9,11H2,1-2H3/b20-14+
InChIKeyNVSPJOYNYOFFQG-XSFVSMFZSA-N
XLogP3.52
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide?
The IUPAC name of N-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide (CID 11737551) is N-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide.
What is the SMILES notation for N-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide?
The canonical SMILES for N-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide is C/C(c1cc2ccc1CCc1ccc(cc1)CC2)=[N+](/C)[O-].
What is the InChIKey of N-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide?
The InChIKey is NVSPJOYNYOFFQG-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H21NO/c1-14(20(2)21)19-13-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h3-6,10,12-13H,7-9,11H2,1-2H3/b20-14+.
What are the key properties of N-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide?
N-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide has a molecular weight of 279.38 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine oxide is sourced from PubChem (CID 11737551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).