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

C14H24N2OS2 — CID 155278404

IUPAC3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCCN(CC)CCOCCN(C)c1c(C)c(=S)c1=S
InChIInChI=1S/C14H24N2OS2/c1-5-16(6-2)8-10-17-9-7-15(4)12-11(3)13(18)14(12)19/h5-10H2,1-4H3
InChIKeyCSRLXAYZXVWRCH-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.12
Rot. Bonds9

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

3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione (PubChem CID 155278404) has the molecular formula C14H24N2OS2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
PubChem CID155278404
Molecular FormulaC14H24N2OS2
Molecular Weight300.49 g/mol
Exact Mass300.13
IUPAC Name3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCCN(CC)CCOCCN(C)c1c(C)c(=S)c1=S
InChIInChI=1S/C14H24N2OS2/c1-5-16(6-2)8-10-17-9-7-15(4)12-11(3)13(18)14(12)19/h5-10H2,1-4H3
InChIKeyCSRLXAYZXVWRCH-UHFFFAOYSA-N
XLogP3.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.12
H-Bond Donors ≤ 50
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

3-[2-(diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
CID 155278540
3-tert-butyl-4-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]cyclobut-3-ene-1,2-dione
CID 153438729
3-tert-butyl-2-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-sulfanylidenecyclobut-2-en-1-one;3-tert-butyl-2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]-4-sulfanylidenecyclobut-2-en-1-one;3-tert-butyl-2-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-sulfanylidenecyclobut-2-en-1-one;3-tert-butyl-2-[methyl-[2-[2-[methyl(propyl)amino]ethoxy]ethyl]amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 161258878
3-tert-butyl-4-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]cyclobut-3-ene-1,2-dithione
CID 153438709
3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione
CID 146180068
3-[2-[ethyl(propyl)amino]ethyl-methylamino]-2-methyl-4-sulfanylidenecyclobut-2-en-1-one
CID 139376937
3-tert-butyl-4-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[2-[2-(dipropylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[2-[2-[ethyl(propyl)amino]ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione
CID 167548300
3-[2-(2-aminoethoxy)ethyl-methylamino]-4-tert-butylcyclobut-3-ene-1,2-dithione
CID 146475254
3-tert-butyl-2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 146179633
2-[2-[2-(diethylamino)ethoxy]ethylamino]-4-sulfanylidenecyclobut-2-en-1-one;N-ethyl-N-methylethanamine
CID 156727829
3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione
CID 155278234
3-tert-butyl-4-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl-methylamino]cyclobut-3-ene-1,2-dione;2-tert-butyl-3-methylcyclobut-2-en-1-one;ethane;N-ethyl-N-propylpropan-1-amine
CID 153333421

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione (CID 155278404) is 3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione is CCN(CC)CCOCCN(C)c1c(C)c(=S)c1=S.
What is the InChIKey of 3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The InChIKey is CSRLXAYZXVWRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS2/c1-5-16(6-2)8-10-17-9-7-15(4)12-11(3)13(18)14(12)19/h5-10H2,1-4H3.
What are the key properties of 3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione has a molecular weight of 300.49 g/mol, XLogP of 3.12, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 155278404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).