3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione

C14H24N2OS2 — CID 146179666

IUPAC3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione
SMILESCNCCOCCN(C)c1c(C(C)(C)C)c(=S)c1=S
InChIInChI=1S/C14H24N2OS2/c1-14(2,3)10-11(13(19)12(10)18)16(5)7-9-17-8-6-15-4/h15H,6-9H2,1-5H3
InChIKeyZVBVXXKNILKRHG-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.99
Rot. Bonds7

About 3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione

3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione (PubChem CID 146179666) has the molecular formula C14H24N2OS2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione
PubChem CID146179666
Molecular FormulaC14H24N2OS2
Molecular Weight300.49 g/mol
Exact Mass300.13
IUPAC Name3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione
SMILESCNCCOCCN(C)c1c(C(C)(C)C)c(=S)c1=S
InChIInChI=1S/C14H24N2OS2/c1-14(2,3)10-11(13(19)12(10)18)16(5)7-9-17-8-6-15-4/h15H,6-9H2,1-5H3
InChIKeyZVBVXXKNILKRHG-UHFFFAOYSA-N
XLogP2.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione (CID 146179666) is 3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione is CNCCOCCN(C)c1c(C(C)(C)C)c(=S)c1=S.
What is the InChIKey of 3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione?
The InChIKey is ZVBVXXKNILKRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS2/c1-14(2,3)10-11(13(19)12(10)18)16(5)7-9-17-8-6-15-4/h15H,6-9H2,1-5H3.
What are the key properties of 3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione?
3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione has a molecular weight of 300.49 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 146179666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).