N,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine

C21H29N3S — CID 44581408

IUPACN,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine
SMILESCN(C)CCCN(C)CCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H29N3S/c1-22(2)14-8-15-23(3)16-9-17-24-18-10-4-6-12-20(18)25-21-13-7-5-11-19(21)24/h4-7,10-13H,8-9,14-17H2,1-3H3
InChIKeyMTWWMWJVGRPNPU-UHFFFAOYSA-N
MW355.55 g/mol
LogP4.56
Rot. Bonds8

About N,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine

N,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine (PubChem CID 44581408) has the molecular formula C21H29N3S and a molecular weight of 355.55 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine
PubChem CID44581408
Molecular FormulaC21H29N3S
Molecular Weight355.55 g/mol
Exact Mass355.21
IUPAC NameN,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine
SMILESCN(C)CCCN(C)CCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H29N3S/c1-22(2)14-8-15-23(3)16-9-17-24-18-10-4-6-12-20(18)25-21-13-7-5-11-19(21)24/h4-7,10-13H,8-9,14-17H2,1-3H3
InChIKeyMTWWMWJVGRPNPU-UHFFFAOYSA-N
XLogP4.56
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

Analyze N,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine (CID 44581408) is N,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine is CN(C)CCCN(C)CCCN1c2ccccc2Sc2ccccc21.
What is the InChIKey of N,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine?
The InChIKey is MTWWMWJVGRPNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3S/c1-22(2)14-8-15-23(3)16-9-17-24-18-10-4-6-12-20(18)25-21-13-7-5-11-19(21)24/h4-7,10-13H,8-9,14-17H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine?
N,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine has a molecular weight of 355.55 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine is sourced from PubChem (CID 44581408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).