3-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione

C14H24N2S2 — CID 139376701

IUPAC3-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione
SMILESCCCN(C)CCCCNc1c(CC)c(=S)c1=S
InChIInChI=1S/C14H24N2S2/c1-4-9-16(3)10-7-6-8-15-12-11(5-2)13(17)14(12)18/h15H,4-10H2,1-3H3
InChIKeyFETGAJRVTHMJJF-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.12
Rot. Bonds9

About 3-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione

3-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione (PubChem CID 139376701) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione
PubChem CID139376701
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC Name3-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione
SMILESCCCN(C)CCCCNc1c(CC)c(=S)c1=S
InChIInChI=1S/C14H24N2S2/c1-4-9-16(3)10-7-6-8-15-12-11(5-2)13(17)14(12)18/h15H,4-10H2,1-3H3
InChIKeyFETGAJRVTHMJJF-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione (CID 139376701) is 3-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione is CCCN(C)CCCCNc1c(CC)c(=S)c1=S.
What is the InChIKey of 3-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione?
The InChIKey is FETGAJRVTHMJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-4-9-16(3)10-7-6-8-15-12-11(5-2)13(17)14(12)18/h15H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione?
3-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione has a molecular weight of 284.49 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 139376701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).