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

C15H26N2S2 — CID 156727893

IUPAC3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione
SMILESCCN(C)c1c(N(C)CCCCC(C)C)c(=S)c1=S
InChIInChI=1S/C15H26N2S2/c1-6-16(4)12-13(15(19)14(12)18)17(5)10-8-7-9-11(2)3/h11H,6-10H2,1-5H3
InChIKeyFNRWXLBRHOCMIS-UHFFFAOYSA-N
MW298.52 g/mol
LogP4.74
Rot. Bonds8

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

3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione (PubChem CID 156727893) has the molecular formula C15H26N2S2 and a molecular weight of 298.52 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione
PubChem CID156727893
Molecular FormulaC15H26N2S2
Molecular Weight298.52 g/mol
Exact Mass298.15
IUPAC Name3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione
SMILESCCN(C)c1c(N(C)CCCCC(C)C)c(=S)c1=S
InChIInChI=1S/C15H26N2S2/c1-6-16(4)12-13(15(19)14(12)18)17(5)10-8-7-9-11(2)3/h11H,6-10H2,1-5H3
InChIKeyFNRWXLBRHOCMIS-UHFFFAOYSA-N
XLogP4.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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

2-amino-3-[methyl(5-methylhexyl)amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 146179875
2-[ethyl(methyl)amino]-3-(5-methylhexylamino)-4-sulfanylidenecyclobut-2-en-1-one
CID 155281364
3-(dimethylamino)-2-[methyl(4-methylpentyl)amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 146180681
3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione
CID 155278397
ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione
CID 155599654
N-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953
N,N,20-trimethylhenicosan-1-amine;hydrochloride
CID 173055097
N-ethyl-N,7-dimethyloctan-2-amine
CID 123377571
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dithione
CID 146180683

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione (CID 156727893) is 3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione is CCN(C)c1c(N(C)CCCCC(C)C)c(=S)c1=S.
What is the InChIKey of 3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione?
The InChIKey is FNRWXLBRHOCMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S2/c1-6-16(4)12-13(15(19)14(12)18)17(5)10-8-7-9-11(2)3/h11H,6-10H2,1-5H3.
What are the key properties of 3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione?
3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione has a molecular weight of 298.52 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 156727893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).