3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione

C15H26N2S2 — CID 146180088

IUPAC3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione
SMILESCN(C)c1c(N(C)CCCCC(C)(C)C)c(=S)c1=S
InChIInChI=1S/C15H26N2S2/c1-15(2,3)9-7-8-10-17(6)12-11(16(4)5)13(18)14(12)19/h7-10H2,1-6H3
InChIKeyRLGFFIWGVHDGDC-UHFFFAOYSA-N
MW298.52 g/mol
LogP4.74
Rot. Bonds6

About 3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione

3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione (PubChem CID 146180088) has the molecular formula C15H26N2S2 and a molecular weight of 298.52 g/mol. Its IUPAC name is 3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione
PubChem CID146180088
Molecular FormulaC15H26N2S2
Molecular Weight298.52 g/mol
Exact Mass298.15
IUPAC Name3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione
SMILESCN(C)c1c(N(C)CCCCC(C)(C)C)c(=S)c1=S
InChIInChI=1S/C15H26N2S2/c1-15(2,3)9-7-8-10-17(6)12-11(16(4)5)13(18)14(12)19/h7-10H2,1-6H3
InChIKeyRLGFFIWGVHDGDC-UHFFFAOYSA-N
XLogP4.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 54.74
H-Bond Donors ≤ 50
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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Related Compounds

3-[4,4-dimethylpentyl(methyl)amino]-4-[2-methoxyethyl(methyl)amino]cyclobut-3-ene-1,2-dithione
CID 166507040
3-amino-2-[5,5-dimethylhexyl(methyl)amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 146180017
2-[5,5-dimethylhexyl(methyl)amino]-3-(methylamino)-4-sulfanylidenecyclobut-2-en-1-one
CID 139376681
2-[tert-butyl(methyl)amino]-3-[4,4-dimethylpentyl(methyl)amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 166507041
2-[4,4-dimethylpentyl(methyl)amino]-3-[3-(dioctylamino)propyl-methylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 166507084
3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione
CID 159635294
4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione
CID 146475279
2-(tert-butylamino)-3-[4,4-dimethylpentyl(methyl)amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 167267612
2-[4,4-dimethylpentyl(methyl)amino]-3-(ethylamino)-4-sulfanylidenecyclobut-2-en-1-one
CID 146180675
3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione
CID 156727893
3-[butyl(methyl)amino]-2-(dimethylamino)-4-sulfanylidenecyclobut-2-en-1-one
CID 155278363
2-(diethylamino)-3-[3,3-dimethylbutyl(methyl)amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 146179634

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione (CID 146180088) is 3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione is CN(C)c1c(N(C)CCCCC(C)(C)C)c(=S)c1=S.
What is the InChIKey of 3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione?
The InChIKey is RLGFFIWGVHDGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S2/c1-15(2,3)9-7-8-10-17(6)12-11(16(4)5)13(18)14(12)19/h7-10H2,1-6H3.
What are the key properties of 3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione?
3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione has a molecular weight of 298.52 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 146180088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).