3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione

C12H20N2S2 — CID 155278540

IUPAC3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCCN(CC)CCN(C)c1c(C)c(=S)c1=S
InChIInChI=1S/C12H20N2S2/c1-5-14(6-2)8-7-13(4)10-9(3)11(15)12(10)16/h5-8H2,1-4H3
InChIKeyDHJDFCNFZJHPRB-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.11
Rot. Bonds6

About 3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione

3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione (PubChem CID 155278540) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
PubChem CID155278540
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCCN(CC)CCN(C)c1c(C)c(=S)c1=S
InChIInChI=1S/C12H20N2S2/c1-5-14(6-2)8-7-13(4)10-9(3)11(15)12(10)16/h5-8H2,1-4H3
InChIKeyDHJDFCNFZJHPRB-UHFFFAOYSA-N
XLogP3.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.11
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

3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
CID 155278404
3-[2-[ethyl(propyl)amino]ethyl-methylamino]-2-methyl-4-sulfanylidenecyclobut-2-en-1-one
CID 139376937
N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
CID 143296680
3-[4-(dimethylamino)butyl-methylamino]-2-methyl-4-sulfanylidenecyclobut-2-en-1-one
CID 155278551
2-[3-(dipropylamino)propyl-methylamino]-3-methyl-4-sulfanylidenecyclobut-2-en-1-one;ethane;propane
CID 156727871
2-methyl-3-[methyl-[2-(methylamino)ethyl]amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 139376934
3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione
CID 155278397
3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione
CID 156727893
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
2-[4-aminobutyl(methyl)amino]-3-methyl-4-sulfanylidenecyclobut-2-en-1-one
CID 146475263
3-[3-[ethyl(propyl)amino]propyl-methylamino]-2-propan-2-yl-4-sulfanylidenecyclobut-2-en-1-one
CID 167267503
2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one
CID 67345434

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione (CID 155278540) is 3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione is CCN(CC)CCN(C)c1c(C)c(=S)c1=S.
What is the InChIKey of 3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The InChIKey is DHJDFCNFZJHPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-5-14(6-2)8-7-13(4)10-9(3)11(15)12(10)16/h5-8H2,1-4H3.
What are the key properties of 3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione has a molecular weight of 256.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 155278540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).