3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane

C14H24N2S — CID 64870140

IUPAC3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane
SMILESCCC1(C)CN(CCc2cccs2)CCCN1
InChIInChI=1S/C14H24N2S/c1-3-14(2)12-16(9-5-8-15-14)10-7-13-6-4-11-17-13/h4,6,11,15H,3,5,7-10,12H2,1-2H3
InChIKeyVEURTKIUNKRFPX-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.75
Rot. Bonds4

About 3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane

3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane (PubChem CID 64870140) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane
PubChem CID64870140
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane
SMILESCCC1(C)CN(CCc2cccs2)CCCN1
InChIInChI=1S/C14H24N2S/c1-3-14(2)12-16(9-5-8-15-14)10-7-13-6-4-11-17-13/h4,6,11,15H,3,5,7-10,12H2,1-2H3
InChIKeyVEURTKIUNKRFPX-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64847174
3-[2-(3-ethyl-3-methyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408926
2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane
CID 82038614
3-ethyl-3-methyl-1-(2-methylsulfonylethyl)-1,4-diazepane
CID 64869553
1-(3,3-dimethylbutyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64871131
2-ethyl-2-(2-thiophen-2-ylethyl)pyrrolidine
CID 66467603
1-(1-benzothiophen-3-ylmethyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64869945
3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane
CID 64949211
2-ethyl-2-(2-thiophen-2-ylethyl)piperidine
CID 117271805
11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane
CID 64858031
1-[2-(5-chlorothiophen-2-yl)ethyl]-3,3-diethyl-1,4-diazepane
CID 106043811
3-phenyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane
CID 64859407

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane?
The IUPAC name of 3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane (CID 64870140) is 3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane.
What is the SMILES notation for 3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane?
The canonical SMILES for 3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane is CCC1(C)CN(CCc2cccs2)CCCN1.
What is the InChIKey of 3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane?
The InChIKey is VEURTKIUNKRFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-14(2)12-16(9-5-8-15-14)10-7-13-6-4-11-17-13/h4,6,11,15H,3,5,7-10,12H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane?
3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane has a molecular weight of 252.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane is sourced from PubChem (CID 64870140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).