3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane

C16H28N2S — CID 64949211

IUPAC3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane
SMILESCCC1(CC)CN(C(C)Cc2cccs2)CCCN1
InChIInChI=1S/C16H28N2S/c1-4-16(5-2)13-18(10-7-9-17-16)14(3)12-15-8-6-11-19-15/h6,8,11,14,17H,4-5,7,9-10,12-13H2,1-3H3
InChIKeyZDZOJCOZASIHJP-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.53
Rot. Bonds5

About 3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane

3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane (PubChem CID 64949211) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane
PubChem CID64949211
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane
SMILESCCC1(CC)CN(C(C)Cc2cccs2)CCCN1
InChIInChI=1S/C16H28N2S/c1-4-16(5-2)13-18(10-7-9-17-16)14(3)12-15-8-6-11-19-15/h6,8,11,14,17H,4-5,7,9-10,12-13H2,1-3H3
InChIKeyZDZOJCOZASIHJP-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-(1-thiophen-2-ylpropan-2-yl)-6,10-diazaspiro[4.6]undecane
CID 64948806
3,3-diethyl-1-(2-methyl-1-thiophen-2-ylpropyl)-1,4-diazepane
CID 64944638
2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine
CID 66468514
2-ethyl-2-(2-thiophen-2-ylethyl)pyrrolidine
CID 66467603
2-ethyl-2-(2-thiophen-2-ylethyl)piperidine
CID 117271805
3,3-diethyl-7-methyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64871653
3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane
CID 64870140
3,3-diethyl-1-(2-propan-2-ylphenyl)-1,4-diazepane
CID 64940555
3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64954403
2-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64930534
3,3-diethyl-1-(3-propan-2-ylphenyl)-1,4-diazepane
CID 64943529
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 83073731

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane?
The IUPAC name of 3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane (CID 64949211) is 3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane.
What is the SMILES notation for 3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane?
The canonical SMILES for 3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane is CCC1(CC)CN(C(C)Cc2cccs2)CCCN1.
What is the InChIKey of 3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane?
The InChIKey is ZDZOJCOZASIHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-16(5-2)13-18(10-7-9-17-16)14(3)12-15-8-6-11-19-15/h6,8,11,14,17H,4-5,7,9-10,12-13H2,1-3H3.
What are the key properties of 3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane?
3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane has a molecular weight of 280.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane is sourced from PubChem (CID 64949211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).