3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione

C13H22N2S2 — CID 155278397

IUPAC3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione
SMILESCCCCN(C)c1c(N(CC)CC)c(=S)c1=S
InChIInChI=1S/C13H22N2S2/c1-5-8-9-14(4)10-11(13(17)12(10)16)15(6-2)7-3/h5-9H2,1-4H3
InChIKeyGBXOBOFYPSRGSQ-UHFFFAOYSA-N
MW270.47 g/mol
LogP4.10
Rot. Bonds7

About 3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione

3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione (PubChem CID 155278397) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione
PubChem CID155278397
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC Name3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione
SMILESCCCCN(C)c1c(N(CC)CC)c(=S)c1=S
InChIInChI=1S/C13H22N2S2/c1-5-8-9-14(4)10-11(13(17)12(10)16)15(6-2)7-3/h5-9H2,1-4H3
InChIKeyGBXOBOFYPSRGSQ-UHFFFAOYSA-N
XLogP4.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione
CID 146475279
3-[butyl(methyl)amino]-2-(dimethylamino)-4-sulfanylidenecyclobut-2-en-1-one
CID 155278363
2,3-bis(diethylamino)cycloprop-2-ene-1-thione
CID 13329914
3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione
CID 156727893
3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione
CID 155278362
2-(diethylamino)-3-[3,3-dimethylbutyl(methyl)amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 146179634
3-(butylamino)-4-(diethylamino)cyclobut-3-ene-1,2-dithione;ethane
CID 156727832
3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dithione
CID 146180683
N,N-dimethylbutan-1-amine;ethane;methane
CID 142050981
3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione
CID 146180088
3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
CID 155278540
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione (CID 155278397) is 3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione is CCCCN(C)c1c(N(CC)CC)c(=S)c1=S.
What is the InChIKey of 3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione?
The InChIKey is GBXOBOFYPSRGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-5-8-9-14(4)10-11(13(17)12(10)16)15(6-2)7-3/h5-9H2,1-4H3.
What are the key properties of 3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione?
3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione has a molecular weight of 270.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 155278397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).