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

C10H16N2OS2 — CID 139376808

IUPAC3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCc1c(N(C)CCOCCN)c(=S)c1=S
InChIInChI=1S/C10H16N2OS2/c1-7-8(10(15)9(7)14)12(2)4-6-13-5-3-11/h3-6,11H2,1-2H3
InChIKeyJENHXDUWHAADDO-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.74
Rot. Bonds6

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

3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione (PubChem CID 139376808) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
PubChem CID139376808
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC Name3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCc1c(N(C)CCOCCN)c(=S)c1=S
InChIInChI=1S/C10H16N2OS2/c1-7-8(10(15)9(7)14)12(2)4-6-13-5-3-11/h3-6,11H2,1-2H3
InChIKeyJENHXDUWHAADDO-UHFFFAOYSA-N
XLogP1.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.74
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-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione (CID 139376808) is 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione is Cc1c(N(C)CCOCCN)c(=S)c1=S.
What is the InChIKey of 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The InChIKey is JENHXDUWHAADDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-7-8(10(15)9(7)14)12(2)4-6-13-5-3-11/h3-6,11H2,1-2H3.
What are the key properties of 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione has a molecular weight of 244.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 139376808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).