N,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine

C15H18N2S — CID 118074636

IUPACN,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine
SMILESC=C1C=CC2NC3C=CC(N(C)C)=CC3SC2=C1
InChIInChI=1S/C15H18N2S/c1-10-4-6-12-14(8-10)18-15-9-11(17(2)3)5-7-13(15)16-12/h4-9,12-13,15-16H,1H2,2-3H3
InChIKeyUJMIYZJAVHISLN-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.45
Rot. Bonds1

About N,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine

N,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine (PubChem CID 118074636) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine
PubChem CID118074636
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine
SMILESC=C1C=CC2NC3C=CC(N(C)C)=CC3SC2=C1
InChIInChI=1S/C15H18N2S/c1-10-4-6-12-14(8-10)18-15-9-11(17(2)3)5-7-13(15)16-12/h4-9,12-13,15-16H,1H2,2-3H3
InChIKeyUJMIYZJAVHISLN-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine?
The IUPAC name of N,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine (CID 118074636) is N,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine.
What is the SMILES notation for N,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine?
The canonical SMILES for N,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine is C=C1C=CC2NC3C=CC(N(C)C)=CC3SC2=C1.
What is the InChIKey of N,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine?
The InChIKey is UJMIYZJAVHISLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10-4-6-12-14(8-10)18-15-9-11(17(2)3)5-7-13(15)16-12/h4-9,12-13,15-16H,1H2,2-3H3.
What are the key properties of N,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine?
N,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine has a molecular weight of 258.39 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine is sourced from PubChem (CID 118074636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).