N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine

C16H16N2OS — CID 87718779

IUPACN-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine
SMILESCCON=C(C)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C16H16N2OS/c1-3-19-18-11(2)12-8-9-16-14(10-12)17-13-6-4-5-7-15(13)20-16/h4-10,17H,3H2,1-2H3
InChIKeyUDSTZCCSDPBEFC-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.66
Rot. Bonds3

About N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine

N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine (PubChem CID 87718779) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine.

Molecular Properties

Compound NameN-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine
PubChem CID87718779
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine
SMILESCCON=C(C)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C16H16N2OS/c1-3-19-18-11(2)12-8-9-16-14(10-12)17-13-6-4-5-7-15(13)20-16/h4-10,17H,3H2,1-2H3
InChIKeyUDSTZCCSDPBEFC-UHFFFAOYSA-N
XLogP4.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine?
The IUPAC name of N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine (CID 87718779) is N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine.
What is the SMILES notation for N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine?
The canonical SMILES for N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine is CCON=C(C)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine?
The InChIKey is UDSTZCCSDPBEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-3-19-18-11(2)12-8-9-16-14(10-12)17-13-6-4-5-7-15(13)20-16/h4-10,17H,3H2,1-2H3.
What are the key properties of N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine?
N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine has a molecular weight of 284.38 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine is sourced from PubChem (CID 87718779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).