N-tert-butyl-1-phenothiazin-10-ylmethanimine

C17H18N2S — CID 13071503

IUPACN-tert-butyl-1-phenothiazin-10-ylmethanimine
SMILESCC(C)(C)/N=C/N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H18N2S/c1-17(2,3)18-12-19-13-8-4-6-10-15(13)20-16-11-7-5-9-14(16)19/h4-12H,1-3H3/b18-12+
InChIKeyZNCDLZUHKQFEIU-LDADJPATSA-N
MW282.41 g/mol
LogP5.12
Rot. Bonds1

About N-tert-butyl-1-phenothiazin-10-ylmethanimine

N-tert-butyl-1-phenothiazin-10-ylmethanimine (PubChem CID 13071503) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-tert-butyl-1-phenothiazin-10-ylmethanimine.

Molecular Properties

Compound NameN-tert-butyl-1-phenothiazin-10-ylmethanimine
PubChem CID13071503
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-tert-butyl-1-phenothiazin-10-ylmethanimine
SMILESCC(C)(C)/N=C/N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H18N2S/c1-17(2,3)18-12-19-13-8-4-6-10-15(13)20-16-11-7-5-9-14(16)19/h4-12H,1-3H3/b18-12+
InChIKeyZNCDLZUHKQFEIU-LDADJPATSA-N
XLogP5.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.41
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

phenothiazine-10-carbaldehyde
CID 11138870
10-(cyclopentadecylidenemethyl)phenothiazine
CID 86063318
10-(2,2-dimethylpropyl)phenothiazine
CID 69273925
2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane
CID 158923820
10-(2,3,3-trimethylbutyl)phenothiazine
CID 134538471
10-(3-methylbutan-2-yl)phenothiazine
CID 153119553
phenothiazine-10-carbonitrile
CID 15926111
10-(2,6-ditert-butyl-10-phenothiazin-10-ylanthracen-9-yl)phenothiazine
CID 24814670
3-tert-butyl-10-phenylphenothiazine
CID 134252291
10-(2-methylcyclopropyl)phenothiazine
CID 59112633
10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine
CID 130438684
2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde
CID 143481394

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-phenothiazin-10-ylmethanimine?
The IUPAC name of N-tert-butyl-1-phenothiazin-10-ylmethanimine (CID 13071503) is N-tert-butyl-1-phenothiazin-10-ylmethanimine.
What is the SMILES notation for N-tert-butyl-1-phenothiazin-10-ylmethanimine?
The canonical SMILES for N-tert-butyl-1-phenothiazin-10-ylmethanimine is CC(C)(C)/N=C/N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-tert-butyl-1-phenothiazin-10-ylmethanimine?
The InChIKey is ZNCDLZUHKQFEIU-LDADJPATSA-N. The full InChI is InChI=1S/C17H18N2S/c1-17(2,3)18-12-19-13-8-4-6-10-15(13)20-16-11-7-5-9-14(16)19/h4-12H,1-3H3/b18-12+.
What are the key properties of N-tert-butyl-1-phenothiazin-10-ylmethanimine?
N-tert-butyl-1-phenothiazin-10-ylmethanimine has a molecular weight of 282.41 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-phenothiazin-10-ylmethanimine is sourced from PubChem (CID 13071503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).