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

C9H14N2OS2 — CID 146475260

IUPAC3-[2-(2-aminoethoxy)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCc1c(NCCOCCN)c(=S)c1=S
InChIInChI=1S/C9H14N2OS2/c1-6-7(9(14)8(6)13)11-3-5-12-4-2-10/h11H,2-5,10H2,1H3
InChIKeyLJOFFVZOTRVPOU-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.72
Rot. Bonds6

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

3-[2-(2-aminoethoxy)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione (PubChem CID 146475260) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-[2-(2-aminoethoxy)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-[2-(2-aminoethoxy)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione
PubChem CID146475260
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC Name3-[2-(2-aminoethoxy)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCc1c(NCCOCCN)c(=S)c1=S
InChIInChI=1S/C9H14N2OS2/c1-6-7(9(14)8(6)13)11-3-5-12-4-2-10/h11H,2-5,10H2,1H3
InChIKeyLJOFFVZOTRVPOU-UHFFFAOYSA-N
XLogP1.72
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
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

N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine
CID 63767403
2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
CID 15792937
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylpropan-2-amine
CID 58904017
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,6-dinitroaniline
CID 135258913
N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine
CID 63767044
2-tert-butyl-3-[2-[2-(methylamino)ethoxy]ethylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 139376768
(NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline
CID 159496915
N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 79717746
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 142808201
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 63767232
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138744855

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethoxy)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-[2-(2-aminoethoxy)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione (CID 146475260) is 3-[2-(2-aminoethoxy)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-[2-(2-aminoethoxy)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-[2-(2-aminoethoxy)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione is Cc1c(NCCOCCN)c(=S)c1=S.
What is the InChIKey of 3-[2-(2-aminoethoxy)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The InChIKey is LJOFFVZOTRVPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-6-7(9(14)8(6)13)11-3-5-12-4-2-10/h11H,2-5,10H2,1H3.
What are the key properties of 3-[2-(2-aminoethoxy)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione?
3-[2-(2-aminoethoxy)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione has a molecular weight of 230.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethoxy)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 146475260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).