N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine

C16H24N2S2 — CID 43758923

IUPACN'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC(c1cccs1)c1cccs1
InChIInChI=1S/C16H24N2S2/c1-16(2,12-18(3)4)11-17-15(13-7-5-9-19-13)14-8-6-10-20-14/h5-10,15,17H,11-12H2,1-4H3
InChIKeyZQENHOQZDFSHAW-UHFFFAOYSA-N
MW308.52 g/mol
LogP4.08
Rot. Bonds7

About N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine

N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 43758923) has the molecular formula C16H24N2S2 and a molecular weight of 308.52 g/mol. Its IUPAC name is N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID43758923
Molecular FormulaC16H24N2S2
Molecular Weight308.52 g/mol
Exact Mass308.14
IUPAC NameN'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC(c1cccs1)c1cccs1
InChIInChI=1S/C16H24N2S2/c1-16(2,12-18(3)4)11-17-15(13-7-5-9-19-13)14-8-6-10-20-14/h5-10,15,17H,11-12H2,1-4H3
InChIKeyZQENHOQZDFSHAW-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol
CID 115359283
1-(dithiophen-2-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 106249456
N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257620
2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol
CID 81414185
2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol
CID 81411730
2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 43767761
N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine
CID 43760503
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 43788223
N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide
CID 115356281
N-(dithiophen-2-ylmethyl)-2-methoxyethanamine
CID 43756292
N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine
CID 62694333

Frequently Asked Questions

What is the IUPAC name of N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine (CID 43758923) is N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNC(c1cccs1)c1cccs1.
What is the InChIKey of N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is ZQENHOQZDFSHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S2/c1-16(2,12-18(3)4)11-17-15(13-7-5-9-19-13)14-8-6-10-20-14/h5-10,15,17H,11-12H2,1-4H3.
What are the key properties of N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 308.52 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 43758923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).