3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide

C23H46N2O2S2 — CID 59929298

IUPAC3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide
SMILESCCCSCCNC(=O)CC(C)(C)CCCC(C)(C)CC(=O)NCCSCCC
InChIInChI=1S/C23H46N2O2S2/c1-7-14-28-16-12-24-20(26)18-22(3,4)10-9-11-23(5,6)19-21(27)25-13-17-29-15-8-2/h7-19H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyCTLRTEFZDIWTAM-UHFFFAOYSA-N
MW446.77 g/mol
LogP5.51
Rot. Bonds18

About 3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide

3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide (PubChem CID 59929298) has the molecular formula C23H46N2O2S2 and a molecular weight of 446.77 g/mol. Its IUPAC name is 3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide.

Molecular Properties

Compound Name3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide
PubChem CID59929298
Molecular FormulaC23H46N2O2S2
Molecular Weight446.77 g/mol
Exact Mass446.30
IUPAC Name3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide
SMILESCCCSCCNC(=O)CC(C)(C)CCCC(C)(C)CC(=O)NCCSCCC
InChIInChI=1S/C23H46N2O2S2/c1-7-14-28-16-12-24-20(26)18-22(3,4)10-9-11-23(5,6)19-21(27)25-13-17-29-15-8-2/h7-19H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyCTLRTEFZDIWTAM-UHFFFAOYSA-N
XLogP5.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.77
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide 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 3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide?
The IUPAC name of 3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide (CID 59929298) is 3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide.
What is the SMILES notation for 3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide?
The canonical SMILES for 3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide is CCCSCCNC(=O)CC(C)(C)CCCC(C)(C)CC(=O)NCCSCCC.
What is the InChIKey of 3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide?
The InChIKey is CTLRTEFZDIWTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O2S2/c1-7-14-28-16-12-24-20(26)18-22(3,4)10-9-11-23(5,6)19-21(27)25-13-17-29-15-8-2/h7-19H2,1-6H3,(H,24,26)(H,25,27).
What are the key properties of 3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide?
3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide has a molecular weight of 446.77 g/mol, XLogP of 5.51, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7,7-tetramethyl-N,N'-bis(2-propylsulfanylethyl)nonanediamide is sourced from PubChem (CID 59929298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).