3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione

C15H26N2OS2 — CID 146180068

IUPAC3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione
SMILESCCN(C)CCOCCN(C)c1c(C(C)C)c(=S)c1=S
InChIInChI=1S/C15H26N2OS2/c1-6-16(4)7-9-18-10-8-17(5)13-12(11(2)3)14(19)15(13)20/h11H,6-10H2,1-5H3
InChIKeyBGONRLNXIXFPBF-UHFFFAOYSA-N
MW314.52 g/mol
LogP3.55
Rot. Bonds9

About 3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione

3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione (PubChem CID 146180068) has the molecular formula C15H26N2OS2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione
PubChem CID146180068
Molecular FormulaC15H26N2OS2
Molecular Weight314.52 g/mol
Exact Mass314.15
IUPAC Name3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione
SMILESCCN(C)CCOCCN(C)c1c(C(C)C)c(=S)c1=S
InChIInChI=1S/C15H26N2OS2/c1-6-16(4)7-9-18-10-8-17(5)13-12(11(2)3)14(19)15(13)20/h11H,6-10H2,1-5H3
InChIKeyBGONRLNXIXFPBF-UHFFFAOYSA-N
XLogP3.55
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 53.55
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-Tert-butyl-4-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione
CID 139376807
3-[2-(2-Aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
CID 139376808
3-Methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione
CID 139376810
3-[2-[2-(Diethylamino)ethoxy]ethylamino]-4-methylcyclobut-3-ene-1,2-dithione
CID 139376811
3-[2-(2-Aminoethoxy)ethylamino]-4-tert-butylcyclobut-3-ene-1,2-dithione
CID 146179657
3-Tert-butyl-4-[2-[2-(methylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione
CID 146179658
3-Tert-butyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione
CID 146179666
3-Tert-butyl-4-[2-[2-[ethyl(propyl)amino]ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione
CID 146179670
3-Tert-butyl-4-[2-[2-[ethyl(methyl)amino]ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione
CID 146179671
3-Tert-butyl-4-[2-[2-(diethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione
CID 146179672
3-[2-[2-(Diethylamino)ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione
CID 146180066
3-Tert-butyl-4-[methyl-[2-[2-[methyl(propyl)amino]ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione
CID 146180067

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione (CID 146180068) is 3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione is CCN(C)CCOCCN(C)c1c(C(C)C)c(=S)c1=S.
What is the InChIKey of 3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione?
The InChIKey is BGONRLNXIXFPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS2/c1-6-16(4)7-9-18-10-8-17(5)13-12(11(2)3)14(19)15(13)20/h11H,6-10H2,1-5H3.
What are the key properties of 3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione?
3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione has a molecular weight of 314.52 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 146180068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).