3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione

C10H16N2OS2 — CID 155599564

IUPAC3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione
SMILESCN(C)CCOCCNc1cc(=S)c1=S
InChIInChI=1S/C10H16N2OS2/c1-12(2)4-6-13-5-3-11-8-7-9(14)10(8)15/h7,11H,3-6H2,1-2H3
InChIKeyYXVFVSHGVIPKQZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.01
Rot. Bonds7

About 3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione

3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione (PubChem CID 155599564) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione
PubChem CID155599564
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC Name3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione
SMILESCN(C)CCOCCNc1cc(=S)c1=S
InChIInChI=1S/C10H16N2OS2/c1-12(2)4-6-13-5-3-11-8-7-9(14)10(8)15/h7,11H,3-6H2,1-2H3
InChIKeyYXVFVSHGVIPKQZ-UHFFFAOYSA-N
XLogP2.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.01
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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Related Compounds

1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine
CID 90053318
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxybenzene-1,2-diamine
CID 114126972
2-[2-[2-(diethylamino)ethoxy]ethylamino]-4-sulfanylidenecyclobut-2-en-1-one;N-ethyl-N-methylethanamine
CID 156727829
2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylbenzene-1,4-diamine
CID 114126977
2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylbenzonitrile
CID 114127687
2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile
CID 114127686
3-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione
CID 156818351
1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride
CID 155540052
3-tert-butyl-2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 146179776
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,4-dinitroaniline
CID 103952478
3-[2-[2-(dimethylamino)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenecyclobut-2-en-1-one
CID 155278544
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxy-2-nitroaniline
CID 104705433

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione (CID 155599564) is 3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione is CN(C)CCOCCNc1cc(=S)c1=S.
What is the InChIKey of 3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione?
The InChIKey is YXVFVSHGVIPKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-12(2)4-6-13-5-3-11-8-7-9(14)10(8)15/h7,11H,3-6H2,1-2H3.
What are the key properties of 3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione?
3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione has a molecular weight of 244.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 155599564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).